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Phenylpropanoids and polyketides

Phenylpropaniods are organic compounds characterized by having an aromatic ring and a three-carbon propene tail. Polyketides are compounds characterized by having two or more carbonyl functional groups connected with a single carbon atom.
Flavonoids (918)
Cinnamic acids and derivatives (910)
Coumarins and derivatives (706)
Linear 1 3-diarylpropanoids (505)
Depsides and depsidones (366)
Phenylpropanoic acids (332)
Isoflavonoids (210)
Cinnamaldehydes (129)
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Neoflavonoids (14)
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106 – 120 of 3,923 results
106

3,4-Dichloroisocoumarin, 98%

CAS: 51050-59-0 Molecular Formula: C9H4Cl2O2 Molecular Weight (g/mol): 215.03 MDL Number: MFCD00036960 InChI Key: SUGXUUGGLDCZKB-UHFFFAOYSA-N Synonym: 3,4-dichloroisocoumarin,3,4-dcl,1h-2-benzopyran-1-one,3,4-dichloro,3,4-dci,3,4 dichloroisocoumarin,3,4-dichloro-1h-isochromen-1-one,3,4-dichloro-1h-2-benzopyran-1-one,1h-2-benzopyran-1-one, 3,4-dichloro,chembl24983,3,4-dichloro-2-benzopyran-1-one PubChem CID: 1609 IUPAC Name: 3,4-dichloroisochromen-1-one SMILES: ClC1=C(Cl)C2=CC=CC=C2C(=O)O1

PubChem CID 1609
CAS 51050-59-0
Molecular Weight (g/mol) 215.03
MDL Number MFCD00036960
SMILES ClC1=C(Cl)C2=CC=CC=C2C(=O)O1
Synonym 3,4-dichloroisocoumarin,3,4-dcl,1h-2-benzopyran-1-one,3,4-dichloro,3,4-dci,3,4 dichloroisocoumarin,3,4-dichloro-1h-isochromen-1-one,3,4-dichloro-1h-2-benzopyran-1-one,1h-2-benzopyran-1-one, 3,4-dichloro,chembl24983,3,4-dichloro-2-benzopyran-1-one
IUPAC Name 3,4-dichloroisochromen-1-one
InChI Key SUGXUUGGLDCZKB-UHFFFAOYSA-N
Molecular Formula C9H4Cl2O2
107

Camostat methanesulfate, 98%

CAS: 59721-29-8 Molecular Formula: C21H26N4O8S Molecular Weight (g/mol): 494.52 MDL Number: MFCD00941410 InChI Key: FSEKIHNIDBATFG-UHFFFAOYSA-N Synonym: camostat mesylate,camostat mesilate,camostat methanesulfonate,camostat monomethanesulfonate,foipan,unii-451m50a1eq,dsstox_cid_238,dsstox_rid_75452,dsstox_gsid_20238 PubChem CID: 5284360 IUPAC Name: 4-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-[(diaminomethylidene)amino]benzoate; methanesulfonic acid SMILES: CS(O)(=O)=O.CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(C=C2)N=C(N)N)C=C1

PubChem CID 5284360
CAS 59721-29-8
Molecular Weight (g/mol) 494.52
MDL Number MFCD00941410
SMILES CS(O)(=O)=O.CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(C=C2)N=C(N)N)C=C1
Synonym camostat mesylate,camostat mesilate,camostat methanesulfonate,camostat monomethanesulfonate,foipan,unii-451m50a1eq,dsstox_cid_238,dsstox_rid_75452,dsstox_gsid_20238
IUPAC Name 4-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-[(diaminomethylidene)amino]benzoate; methanesulfonic acid
InChI Key FSEKIHNIDBATFG-UHFFFAOYSA-N
Molecular Formula C21H26N4O8S
108

(R)-(-)-2-Phenylpropionic acid, 99%

CAS: 7782-26-5 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00063140 InChI Key: YPGCWEMNNLXISK-SSDOTTSWSA-N Synonym: r---2-phenylpropionic acid,r-2-phenylpropanoic acid,2r-2-phenylpropanoic acid,r-hydratropic acid,--hydratropic acid,r---hydratropic acid,r---2-phenylpropionicacid,r-2-phenylpropionic acid,r-2-phenyl-propionic acid,r-2-phenyl-proprionic acid PubChem CID: 446626 ChEBI: CHEBI:43035 IUPAC Name: (2R)-2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O

PubChem CID 446626
CAS 7782-26-5
Molecular Weight (g/mol) 150.18
ChEBI CHEBI:43035
MDL Number MFCD00063140
SMILES CC(C1=CC=CC=C1)C(=O)O
Synonym r---2-phenylpropionic acid,r-2-phenylpropanoic acid,2r-2-phenylpropanoic acid,r-hydratropic acid,--hydratropic acid,r---hydratropic acid,r---2-phenylpropionicacid,r-2-phenylpropionic acid,r-2-phenyl-propionic acid,r-2-phenyl-proprionic acid
IUPAC Name (2R)-2-phenylpropanoic acid
InChI Key YPGCWEMNNLXISK-SSDOTTSWSA-N
Molecular Formula C9H10O2
109

2-Carboxycinnamic acid, predominantly trans, 97%

CAS: 612-40-8 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00004380 InChI Key: SCWPNMHQRGNQHH-AATRIKPKSA-N Synonym: 2-carboxycinnamic acid,2-2-carboxyvinyl benzoic acid,2-2-carboxyethenyl benzoic acid,e-2-2-carboxyvinyl benzoic acid,2-e-3-hydroxy-3-oxoprop-1-enyl benzoic acid,2-1e-2-carboxyvinyl benzoic acid,2-e-2-carboxyethenyl benzoic acid,2-1e-2-carboxyeth-1-en-1-yl benzoic acid,2-e-2-carboxyvinyl benzoicacid,2-carboxy cinnamic acid PubChem CID: 904938 IUPAC Name: 2-[(E)-2-carboxyethenyl]benzoic acid SMILES: OC(=O)\C=C\C1=CC=CC=C1C(O)=O

PubChem CID 904938
CAS 612-40-8
Molecular Weight (g/mol) 192.17
MDL Number MFCD00004380
SMILES OC(=O)\C=C\C1=CC=CC=C1C(O)=O
Synonym 2-carboxycinnamic acid,2-2-carboxyvinyl benzoic acid,2-2-carboxyethenyl benzoic acid,e-2-2-carboxyvinyl benzoic acid,2-e-3-hydroxy-3-oxoprop-1-enyl benzoic acid,2-1e-2-carboxyvinyl benzoic acid,2-e-2-carboxyethenyl benzoic acid,2-1e-2-carboxyeth-1-en-1-yl benzoic acid,2-e-2-carboxyvinyl benzoicacid,2-carboxy cinnamic acid
IUPAC Name 2-[(E)-2-carboxyethenyl]benzoic acid
InChI Key SCWPNMHQRGNQHH-AATRIKPKSA-N
Molecular Formula C10H8O4
110

Morin, MP Biomedicals™

CAS: 480-16-0 Molecular Formula: C15H10O7 Molecular Weight (g/mol): 302.238 InChI Key: YXOLAZRVSSWPPT-UHFFFAOYSA-N Synonym: morin,aurantica,calico yellow,al-morin,toxylon pomiferum,bois d,arc,morin hydrate,2',3,4',5,7-pentahydroxyflavone,osage orange,osage orange extract PubChem CID: 5281670 ChEBI: CHEBI:75092 IUPAC Name: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one SMILES: C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O

PubChem CID 5281670
CAS 480-16-0
Molecular Weight (g/mol) 302.238
ChEBI CHEBI:75092
SMILES C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Synonym morin,aurantica,calico yellow,al-morin,toxylon pomiferum,bois d,arc,morin hydrate,2',3,4',5,7-pentahydroxyflavone,osage orange,osage orange extract
IUPAC Name 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
InChI Key YXOLAZRVSSWPPT-UHFFFAOYSA-N
Molecular Formula C15H10O7
111

4-Amino-4'-nitrostilbene-2,2'-disulfonic acid, tech. 80%, Thermo Scientific Chemicals

CAS: 119-72-2 Molecular Formula: C14H12N2O8S2 Molecular Weight (g/mol): 400.376 MDL Number: MFCD00035915 InChI Key: GHBWBMDGBCKAQU-OWOJBTEDSA-N Synonym: 4-nitro-4'-aminostilbene-2,2'-disulfonic acid,4-amino-4'-nitro-2,2'-stilbenedisulfonic acid,4-amino-4'-nitrostilbene-2,2'-disulfonic acid,kyselina 4-amino-4'-nitrostilben-2,2'-disulfonova czech,kyselina 4-nitro-4'-aminostilben-2,2'-disulfonova czech,benzenesulfonic acid, 5-amino-2-2-4-nitro-2-sulfophenyl ethenyl,2,2'-stilbenedisulfonic acid, 4-amino-4'-nitro,5-amino-2-2-4-nitro-2-sulphophenyl vinyl benzenesulphonic acid,5-amino-2-e-2-4-nitro-2-sulfo-phenyl vinyl benzenesulfonic acid,5-amino-2-e-2-4-nitro-2-sulfophenyl ethenyl benzenesulfonic acid PubChem CID: 5473847 IUPAC Name: 5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

PubChem CID 5473847
CAS 119-72-2
Molecular Weight (g/mol) 400.376
MDL Number MFCD00035915
SMILES C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O
Synonym 4-nitro-4'-aminostilbene-2,2'-disulfonic acid,4-amino-4'-nitro-2,2'-stilbenedisulfonic acid,4-amino-4'-nitrostilbene-2,2'-disulfonic acid,kyselina 4-amino-4'-nitrostilben-2,2'-disulfonova czech,kyselina 4-nitro-4'-aminostilben-2,2'-disulfonova czech,benzenesulfonic acid, 5-amino-2-2-4-nitro-2-sulfophenyl ethenyl,2,2'-stilbenedisulfonic acid, 4-amino-4'-nitro,5-amino-2-2-4-nitro-2-sulphophenyl vinyl benzenesulphonic acid,5-amino-2-e-2-4-nitro-2-sulfo-phenyl vinyl benzenesulfonic acid,5-amino-2-e-2-4-nitro-2-sulfophenyl ethenyl benzenesulfonic acid
IUPAC Name 5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid
InChI Key GHBWBMDGBCKAQU-OWOJBTEDSA-N
Molecular Formula C14H12N2O8S2
112

(S)-(+)-2-Phenylpropionic acid, 99%

CAS: 7782-24-3 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00063139 InChI Key: YPGCWEMNNLXISK-ZETCQYMHSA-N Synonym: s-+-2-phenylpropionic acid,s-2-phenylpropanoic acid,2s-2-phenylpropanoic acid,s-hydratropic acid,+-hydratropic acid,s-2-phenyl-propionic acid,s-alpha-methylbenzeneacetic acid,s-2-phenylpropionic acid,s-+-hydratropic acid,unii-988109nfbc PubChem CID: 2724622 ChEBI: CHEBI:48527 IUPAC Name: (2S)-2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O

PubChem CID 2724622
CAS 7782-24-3
Molecular Weight (g/mol) 150.18
ChEBI CHEBI:48527
MDL Number MFCD00063139
SMILES CC(C1=CC=CC=C1)C(=O)O
Synonym s-+-2-phenylpropionic acid,s-2-phenylpropanoic acid,2s-2-phenylpropanoic acid,s-hydratropic acid,+-hydratropic acid,s-2-phenyl-propionic acid,s-alpha-methylbenzeneacetic acid,s-2-phenylpropionic acid,s-+-hydratropic acid,unii-988109nfbc
IUPAC Name (2S)-2-phenylpropanoic acid
InChI Key YPGCWEMNNLXISK-ZETCQYMHSA-N
Molecular Formula C9H10O2
113

6-Nitrocoumarin, 98+%

CAS: 2725-81-7 Molecular Formula: C9H5NO4 Molecular Weight (g/mol): 191.142 MDL Number: MFCD00016973 InChI Key: RMERXEXZXIVNBF-UHFFFAOYSA-N PubChem CID: 75944 IUPAC Name: 6-nitrochromen-2-one SMILES: C1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-]

PubChem CID 75944
CAS 2725-81-7
Molecular Weight (g/mol) 191.142
MDL Number MFCD00016973
SMILES C1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-]
IUPAC Name 6-nitrochromen-2-one
InChI Key RMERXEXZXIVNBF-UHFFFAOYSA-N
Molecular Formula C9H5NO4
114

4',5,7-Trihydroxyisoflavone, 99+%

CAS: 446-72-0 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00016952 InChI Key: TZBJGXHYKVUXJN-UHFFFAOYSA-N Synonym: genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein PubChem CID: 5280961 ChEBI: CHEBI:28088 IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O

PubChem CID 5280961
CAS 446-72-0
Molecular Weight (g/mol) 270.24
ChEBI CHEBI:28088
MDL Number MFCD00016952
SMILES OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
Synonym genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein
IUPAC Name 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
InChI Key TZBJGXHYKVUXJN-UHFFFAOYSA-N
Molecular Formula C15H10O5
115

trans-3-Bromocinnamic acid, 98+%

CAS: 14473-91-7 Molecular Formula: C9H7BrO2 Molecular Weight (g/mol): 227.06 MDL Number: MFCD00004382 InChI Key: YEMUSDCFQUBPAL-SNAWJCMRSA-N Synonym: 3-bromocinnamic acid,3-3-bromophenyl acrylic acid,m-bromocinnamic acid,trans-3-bromocinnamic acid,cinnamic acid, m-bromo,bw a800u,e-3-3-bromophenyl acrylic acid,3-3-bromophenyl-2-propenoic acid,2e-3-3-bromophenyl acrylic acid,bromocinnamic acid,3 PubChem CID: 776461 IUPAC Name: (E)-3-(3-bromophenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=CC(Br)=C1

PubChem CID 776461
CAS 14473-91-7
Molecular Weight (g/mol) 227.06
MDL Number MFCD00004382
SMILES OC(=O)\C=C\C1=CC=CC(Br)=C1
Synonym 3-bromocinnamic acid,3-3-bromophenyl acrylic acid,m-bromocinnamic acid,trans-3-bromocinnamic acid,cinnamic acid, m-bromo,bw a800u,e-3-3-bromophenyl acrylic acid,3-3-bromophenyl-2-propenoic acid,2e-3-3-bromophenyl acrylic acid,bromocinnamic acid,3
IUPAC Name (E)-3-(3-bromophenyl)prop-2-enoic acid
InChI Key YEMUSDCFQUBPAL-SNAWJCMRSA-N
Molecular Formula C9H7BrO2
116

1,1,3-Triphenylpropargyl alcohol, 97%

CAS: 1522-13-0 Molecular Formula: C21H16O Molecular Weight (g/mol): 284.36 MDL Number: MFCD00004449 InChI Key: VWRQCJRTHKUVNF-UHFFFAOYSA-N Synonym: 1,1,3-triphenylpropargyl alcohol,1,1,3-triphenyl-2-propyn-1-ol,diphenyl phenylethynyl carbinol,benzenemethanol, .alpha.-phenyl-.alpha.-phenylethynyl,triphenylprop-2-yn-1-ol,1,1,3-triphenylpropargylalcohol,2-propyn-1-ol, 1,1,3-triphenyl,pubchem14025,acmc-209d7i,triphenyl-1-propyne-3-ol PubChem CID: 137058 IUPAC Name: 1,1,3-triphenylprop-2-yn-1-ol SMILES: OC(C#CC1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 137058
CAS 1522-13-0
Molecular Weight (g/mol) 284.36
MDL Number MFCD00004449
SMILES OC(C#CC1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym 1,1,3-triphenylpropargyl alcohol,1,1,3-triphenyl-2-propyn-1-ol,diphenyl phenylethynyl carbinol,benzenemethanol, .alpha.-phenyl-.alpha.-phenylethynyl,triphenylprop-2-yn-1-ol,1,1,3-triphenylpropargylalcohol,2-propyn-1-ol, 1,1,3-triphenyl,pubchem14025,acmc-209d7i,triphenyl-1-propyne-3-ol
IUPAC Name 1,1,3-triphenylprop-2-yn-1-ol
InChI Key VWRQCJRTHKUVNF-UHFFFAOYSA-N
Molecular Formula C21H16O
117

6,7-Dihydroxycoumarin, 98+%

CAS: 305-01-1 Molecular Formula: C9H6O4 Molecular Weight (g/mol): 178.143 MDL Number: MFCD00006874 InChI Key: ILEDWLMCKZNDJK-UHFFFAOYSA-N Synonym: esculetin,6,7-dihydroxycoumarin,aesculetin,cichorigenin,6,7-dihydroxy-2h-chromen-2-one,cichoriin aglucon,esculatin,esculetol,esculin aglucon,esculin aglycon PubChem CID: 5281416 ChEBI: CHEBI:490095 IUPAC Name: 6,7-dihydroxychromen-2-one SMILES: C1=CC(=O)OC2=CC(=C(C=C21)O)O

PubChem CID 5281416
CAS 305-01-1
Molecular Weight (g/mol) 178.143
ChEBI CHEBI:490095
MDL Number MFCD00006874
SMILES C1=CC(=O)OC2=CC(=C(C=C21)O)O
Synonym esculetin,6,7-dihydroxycoumarin,aesculetin,cichorigenin,6,7-dihydroxy-2h-chromen-2-one,cichoriin aglucon,esculatin,esculetol,esculin aglucon,esculin aglycon
IUPAC Name 6,7-dihydroxychromen-2-one
InChI Key ILEDWLMCKZNDJK-UHFFFAOYSA-N
Molecular Formula C9H6O4
118

3-(3,4,5-Trimethoxyphenyl)propionic acid, 98%

CAS: 25173-72-2 Molecular Formula: C12H16O5 Molecular Weight (g/mol): 240.25 MDL Number: MFCD00002775 InChI Key: ZCYXGVJUZBKJAI-UHFFFAOYSA-N Synonym: 3-3,4,5-trimethoxyphenyl propanoic acid,3-3,4,5-trimethoxyphenyl propionic acid,benzenepropanoic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyhydrocinnamic acid,3,4,5-trimethoxydihydrocinnamic acid,3,4,5-trimethoxyphenylpropionic acid,3,4,5-trimethoxybenzenepropanoic acid,3,4,5-trimethoxy-benzenepropanoic acid,acmc-1cazt,maybridge1_005958 PubChem CID: 64860 ChEBI: CHEBI:583580 IUPAC Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid SMILES: COC1=CC(=CC(=C1OC)OC)CCC(=O)O

PubChem CID 64860
CAS 25173-72-2
Molecular Weight (g/mol) 240.25
ChEBI CHEBI:583580
MDL Number MFCD00002775
SMILES COC1=CC(=CC(=C1OC)OC)CCC(=O)O
Synonym 3-3,4,5-trimethoxyphenyl propanoic acid,3-3,4,5-trimethoxyphenyl propionic acid,benzenepropanoic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyhydrocinnamic acid,3,4,5-trimethoxydihydrocinnamic acid,3,4,5-trimethoxyphenylpropionic acid,3,4,5-trimethoxybenzenepropanoic acid,3,4,5-trimethoxy-benzenepropanoic acid,acmc-1cazt,maybridge1_005958
IUPAC Name 3-(3,4,5-trimethoxyphenyl)propanoic acid
InChI Key ZCYXGVJUZBKJAI-UHFFFAOYSA-N
Molecular Formula C12H16O5
119

Minocycline Hydrochloride, MP Biomedicals™

CAS: 13614-98-7 Molecular Formula: C23H28ClN3O7 Molecular Weight (g/mol): 493.94 MDL Number: MFCD00083669 InChI Key: KDLQIOPKJDNQIM-WUURTAMISA-N Synonym: minocycline hydrochloride,minocycline hcl,minomycin,minocin,minocycline chloride,arestin,vectrin,minomax,periocline,tri-mino PubChem CID: 54685925 IUPAC Name: hydrogen (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-1,2,3,4,4a,5,5a,6,12,12a-decahydrotetracene-1,3,12-trione chloride SMILES: [H+].[Cl-].CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(O)=C4C(O)=C3C(=O)[C@]2(O)C(=O)\C(=C(\N)O)C1=O)N(C)C

PubChem CID 54685925
CAS 13614-98-7
Molecular Weight (g/mol) 493.94
MDL Number MFCD00083669
SMILES [H+].[Cl-].CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(O)=C4C(O)=C3C(=O)[C@]2(O)C(=O)\C(=C(\N)O)C1=O)N(C)C
Synonym minocycline hydrochloride,minocycline hcl,minomycin,minocin,minocycline chloride,arestin,vectrin,minomax,periocline,tri-mino
IUPAC Name hydrogen (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-1,2,3,4,4a,5,5a,6,12,12a-decahydrotetracene-1,3,12-trione chloride
InChI Key KDLQIOPKJDNQIM-WUURTAMISA-N
Molecular Formula C23H28ClN3O7
120

Naringin hydrate, 98%

CAS: 132203-74-8 Molecular Formula: C27H32O14 Molecular Weight (g/mol): 580.54 MDL Number: MFCD00148888,MFCD00149445,MFCD01461988 InChI Key: DFPMSGMNTNDNHN-ZPHOTFPESA-N PubChem CID: 74787988 IUPAC Name: 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O

PubChem CID 74787988
CAS 132203-74-8
Molecular Weight (g/mol) 580.54
MDL Number MFCD00148888,MFCD00149445,MFCD01461988
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O
IUPAC Name 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
InChI Key DFPMSGMNTNDNHN-ZPHOTFPESA-N
Molecular Formula C27H32O14