Phenylpropanoids and polyketides
Filtered Search Results
4-Cyanophenyl 4-Heptylbenzoate 98.0+%, TCI America™
CAS: 38690-76-5 Molecular Formula: C21H23NO2 Molecular Weight (g/mol): 321.42 MDL Number: MFCD00001817 InChI Key: ZWAUTNYPKHVAEZ-UHFFFAOYSA-N Synonym: 4-Heptylbenzoic Acid 4-Cyanophenyl Ester PubChem CID: 170097 IUPAC Name: (4-cyanophenyl) 4-heptylbenzoate SMILES: CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
| PubChem CID | 170097 |
|---|---|
| CAS | 38690-76-5 |
| Molecular Weight (g/mol) | 321.42 |
| MDL Number | MFCD00001817 |
| SMILES | CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N |
| Synonym | 4-Heptylbenzoic Acid 4-Cyanophenyl Ester |
| IUPAC Name | (4-cyanophenyl) 4-heptylbenzoate |
| InChI Key | ZWAUTNYPKHVAEZ-UHFFFAOYSA-N |
| Molecular Formula | C21H23NO2 |
4-n-Octyloxyphenyl 4-Butylbenzoate 98.0+%, TCI America™
CAS: 42815-59-8 Molecular Formula: C25H34O3 Molecular Weight (g/mol): 382.544 MDL Number: MFCD00060084 InChI Key: DESAJRHSCPKXHK-UHFFFAOYSA-N Synonym: 4-Butylbenzoic Acid 4-n-Octyloxyphenyl Ester PubChem CID: 19013731 IUPAC Name: (4-octoxyphenyl) 4-butylbenzoate SMILES: CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC
| PubChem CID | 19013731 |
|---|---|
| CAS | 42815-59-8 |
| Molecular Weight (g/mol) | 382.544 |
| MDL Number | MFCD00060084 |
| SMILES | CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC |
| Synonym | 4-Butylbenzoic Acid 4-n-Octyloxyphenyl Ester |
| IUPAC Name | (4-octoxyphenyl) 4-butylbenzoate |
| InChI Key | DESAJRHSCPKXHK-UHFFFAOYSA-N |
| Molecular Formula | C25H34O3 |
4-Bromocinnamic Acid 98.0+%, TCI America™
CAS: 1200-07-3 Molecular Formula: C9H7BrO2 Molecular Weight (g/mol): 227.06 MDL Number: MFCD00004394 InChI Key: CPDDDTNAMBSPRN-ZZXKWVIFSA-N Synonym: 4-bromocinnamic acid,p-bromocinnamic acid,3-4-bromophenyl acrylic acid,bromocinnamic acid,4,2e-3-4-bromophenyl prop-2-enoic acid,trans-4-bromocinnamic acid,e-3-4-bromophenyl acrylic acid,2-propenoic acid, 3-4-bromophenyl-, 2e,4-bromocinnamic acid, predominantly trans,rarechem bk hd c006 PubChem CID: 737158 IUPAC Name: (2E)-3-(4-bromophenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=C(Br)C=C1
| PubChem CID | 737158 |
|---|---|
| CAS | 1200-07-3 |
| Molecular Weight (g/mol) | 227.06 |
| MDL Number | MFCD00004394 |
| SMILES | OC(=O)\C=C\C1=CC=C(Br)C=C1 |
| Synonym | 4-bromocinnamic acid,p-bromocinnamic acid,3-4-bromophenyl acrylic acid,bromocinnamic acid,4,2e-3-4-bromophenyl prop-2-enoic acid,trans-4-bromocinnamic acid,e-3-4-bromophenyl acrylic acid,2-propenoic acid, 3-4-bromophenyl-, 2e,4-bromocinnamic acid, predominantly trans,rarechem bk hd c006 |
| IUPAC Name | (2E)-3-(4-bromophenyl)prop-2-enoic acid |
| InChI Key | CPDDDTNAMBSPRN-ZZXKWVIFSA-N |
| Molecular Formula | C9H7BrO2 |
Tyrphostin AG 835 98.0+%, TCI America™
CAS: 133550-37-5 Molecular Formula: C18H16N2O3 Molecular Weight (g/mol): 308.337 MDL Number: MFCD00209855 InChI Key: UMGQVUWXNOJOSJ-CDCQXCROSA-N Synonym: tyrphostin b44, + enantiomer,--r-n-,a-methylbenzyl-3,4-dihydroxybenzylidenecyanoacetamide PubChem CID: 23919058 IUPAC Name: (Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide SMILES: CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N
| PubChem CID | 23919058 |
|---|---|
| CAS | 133550-37-5 |
| Molecular Weight (g/mol) | 308.337 |
| MDL Number | MFCD00209855 |
| SMILES | CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N |
| Synonym | tyrphostin b44, + enantiomer,--r-n-,a-methylbenzyl-3,4-dihydroxybenzylidenecyanoacetamide |
| IUPAC Name | (Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide |
| InChI Key | UMGQVUWXNOJOSJ-CDCQXCROSA-N |
| Molecular Formula | C18H16N2O3 |
2-Bromocinnamic Acid 98.0+%, TCI America™
CAS: 7345-79-1 Molecular Formula: C9H7BrO2 Molecular Weight (g/mol): 227.06 MDL Number: MFCD00016836 InChI Key: OMHDOOAFLCMRFX-UHFFFAOYSA-N Synonym: 2-bromocinnamic acid,trans-2-bromocinnamic acid,o-bromocinnamic acid,3-2-bromophenyl acrylic acid,bromocinnamic acid,2,2e-3-2-bromophenyl prop-2-enoic acid,e-3-2-bromophenyl acrylic acid,3-2-bromo-phenyl-acrylic acid,e-3-2-bromophenyl prop-2-enoic acid,2e-3-2-bromophenyl acrylic acid PubChem CID: 688321 IUPAC Name: 3-(2-bromophenyl)prop-2-enoic acid SMILES: OC(=O)C=CC1=CC=CC=C1Br
| PubChem CID | 688321 |
|---|---|
| CAS | 7345-79-1 |
| Molecular Weight (g/mol) | 227.06 |
| MDL Number | MFCD00016836 |
| SMILES | OC(=O)C=CC1=CC=CC=C1Br |
| Synonym | 2-bromocinnamic acid,trans-2-bromocinnamic acid,o-bromocinnamic acid,3-2-bromophenyl acrylic acid,bromocinnamic acid,2,2e-3-2-bromophenyl prop-2-enoic acid,e-3-2-bromophenyl acrylic acid,3-2-bromo-phenyl-acrylic acid,e-3-2-bromophenyl prop-2-enoic acid,2e-3-2-bromophenyl acrylic acid |
| IUPAC Name | 3-(2-bromophenyl)prop-2-enoic acid |
| InChI Key | OMHDOOAFLCMRFX-UHFFFAOYSA-N |
| Molecular Formula | C9H7BrO2 |
trans-2-Methoxycinnamic Acid 99.0+%, TCI America™
CAS: 1011-54-7 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00064238 InChI Key: FEGVSPGUHMGGBO-VOTSOKGWSA-N Synonym: 2-methoxycinnamic acid,trans-2-methoxycinnamic acid,3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl prop-2-enoic acid,o-methoxycinnamic acid,e-3-2-methoxyphenyl acrylic acid,e-3-2-methoxyphenyl-2-propenoic acid,e-o-methoxycinnamic acid,trans-o-methyl-o-coumaric acid PubChem CID: 734154 IUPAC Name: (E)-3-(2-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=CC=C1C=CC(=O)O
| PubChem CID | 734154 |
|---|---|
| CAS | 1011-54-7 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD00064238 |
| SMILES | COC1=CC=CC=C1C=CC(=O)O |
| Synonym | 2-methoxycinnamic acid,trans-2-methoxycinnamic acid,3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl prop-2-enoic acid,o-methoxycinnamic acid,e-3-2-methoxyphenyl acrylic acid,e-3-2-methoxyphenyl-2-propenoic acid,e-o-methoxycinnamic acid,trans-o-methyl-o-coumaric acid |
| IUPAC Name | (E)-3-(2-methoxyphenyl)prop-2-enoic acid |
| InChI Key | FEGVSPGUHMGGBO-VOTSOKGWSA-N |
| Molecular Formula | C10H10O3 |
trans-m-Coumaric Acid 99.0+%, TCI America™
CAS: 14755-02-3 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00004390 InChI Key: KKSDGJDHHZEWEP-SNAWJCMRSA-N Synonym: 3-hydroxycinnamic acid,3-coumaric acid,m-coumaric acid,m-hydroxycinnamic acid,3-3-hydroxyphenyl acrylic acid,e-3-3-hydroxyphenyl acrylic acid,trans-3-hydroxycinnamic acid,trans-3-hydroxycinnamate,cinnamic acid, m-hydroxy,2e-3-3-hydroxyphenyl prop-2-enoic acid PubChem CID: 637541 ChEBI: CHEBI:32357 IUPAC Name: (E)-3-(3-hydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=CC(=C1)O)C=CC(=O)O
| PubChem CID | 637541 |
|---|---|
| CAS | 14755-02-3 |
| Molecular Weight (g/mol) | 164.16 |
| ChEBI | CHEBI:32357 |
| MDL Number | MFCD00004390 |
| SMILES | C1=CC(=CC(=C1)O)C=CC(=O)O |
| Synonym | 3-hydroxycinnamic acid,3-coumaric acid,m-coumaric acid,m-hydroxycinnamic acid,3-3-hydroxyphenyl acrylic acid,e-3-3-hydroxyphenyl acrylic acid,trans-3-hydroxycinnamic acid,trans-3-hydroxycinnamate,cinnamic acid, m-hydroxy,2e-3-3-hydroxyphenyl prop-2-enoic acid |
| IUPAC Name | (E)-3-(3-hydroxyphenyl)prop-2-enoic acid |
| InChI Key | KKSDGJDHHZEWEP-SNAWJCMRSA-N |
| Molecular Formula | C9H8O3 |
trans-3-Bromocinnamic Acid 99.0+%, TCI America™
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: (2E)-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 | (2E)-3-(3-bromophenyl)prop-2-enoic acid |
| InChI Key | YEMUSDCFQUBPAL-SNAWJCMRSA-N |
| Molecular Formula | C9H7BrO2 |
3-(1-Naphthyl)acrylic Acid 95.0+%, TCI America™
CAS: 13026-12-5 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00014317,MFCD00014317 InChI Key: WPXMLUUYWNHQOR-CMDGGOBGSA-N Synonym: naphthalene-1-acrylic acid,z-3-1-naphthyl acrylic acid,z-3-naphthalen-1-yl-acrylic acid,z-3-naphthalen-1-yl acrylic acid,2z-3-naphthalen-1-yl prop-2-enoic acid PubChem CID: 12158295 IUPAC Name: (2E)-3-(naphthalen-1-yl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=C2C=CC=CC2=CC=C1
| PubChem CID | 12158295 |
|---|---|
| CAS | 13026-12-5 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00014317,MFCD00014317 |
| SMILES | OC(=O)\C=C\C1=C2C=CC=CC2=CC=C1 |
| Synonym | naphthalene-1-acrylic acid,z-3-1-naphthyl acrylic acid,z-3-naphthalen-1-yl-acrylic acid,z-3-naphthalen-1-yl acrylic acid,2z-3-naphthalen-1-yl prop-2-enoic acid |
| IUPAC Name | (2E)-3-(naphthalen-1-yl)prop-2-enoic acid |
| InChI Key | WPXMLUUYWNHQOR-CMDGGOBGSA-N |
| Molecular Formula | C13H10O2 |
Anisoin 97.0+%, TCI America™
CAS: 119-52-8 Molecular Formula: C16H16O4 Molecular Weight (g/mol): 272.30 MDL Number: MFCD00008411 InChI Key: LRRQSCPPOIUNGX-UHFFFAOYNA-N Synonym: anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one PubChem CID: 95415 IUPAC Name: 2-hydroxy-1,2-bis(4-methoxyphenyl)ethan-1-one SMILES: COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1
| PubChem CID | 95415 |
|---|---|
| CAS | 119-52-8 |
| Molecular Weight (g/mol) | 272.30 |
| MDL Number | MFCD00008411 |
| SMILES | COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1 |
| Synonym | anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one |
| IUPAC Name | 2-hydroxy-1,2-bis(4-methoxyphenyl)ethan-1-one |
| InChI Key | LRRQSCPPOIUNGX-UHFFFAOYNA-N |
| Molecular Formula | C16H16O4 |
1,2-Bis(4-methoxyphenyl)-2-oxoethyl Cyclohexylcarbamate 98.0+%, TCI America™
CAS: 196599-80-1 Molecular Formula: C23H27NO5 Molecular Weight (g/mol): 397.471 InChI Key: MTNUOOJIYAKURM-UHFFFAOYSA-N Synonym: Cyclohexylcarbamic Acid 1,2-Bis(4-methoxyphenyl)-2-oxoethyl Ester PubChem CID: 10596958 IUPAC Name: [1,2-bis(4-methoxyphenyl)-2-oxoethyl] N-cyclohexylcarbamate SMILES: COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)OC(=O)NC3CCCCC3
| PubChem CID | 10596958 |
|---|---|
| CAS | 196599-80-1 |
| Molecular Weight (g/mol) | 397.471 |
| SMILES | COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)OC(=O)NC3CCCCC3 |
| Synonym | Cyclohexylcarbamic Acid 1,2-Bis(4-methoxyphenyl)-2-oxoethyl Ester |
| IUPAC Name | [1,2-bis(4-methoxyphenyl)-2-oxoethyl] N-cyclohexylcarbamate |
| InChI Key | MTNUOOJIYAKURM-UHFFFAOYSA-N |
| Molecular Formula | C23H27NO5 |
Piceid 95.0+%, TCI America™
CAS: 27208-80-6 Molecular Formula: C20H22O8 Molecular Weight (g/mol): 390.388 MDL Number: MFCD00210592 InChI Key: HSTZMXCBWJGKHG-CUYWLFDKSA-N PubChem CID: 5281718 ChEBI: CHEBI:8198 IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O
| PubChem CID | 5281718 |
|---|---|
| CAS | 27208-80-6 |
| Molecular Weight (g/mol) | 390.388 |
| ChEBI | CHEBI:8198 |
| MDL Number | MFCD00210592 |
| SMILES | C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChI Key | HSTZMXCBWJGKHG-CUYWLFDKSA-N |
| Molecular Formula | C20H22O8 |
Daidzein 98.0+%, TCI America™
CAS: 486-66-8 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.241 MDL Number: MFCD00016954 InChI Key: ZQSIJRDFPHDXIC-UHFFFAOYSA-N Synonym: daidzein,4',7-dihydroxyisoflavone,daidzeol,7,4'-dihydroxyisoflavone,7-hydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,diadzein,7-hydroxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 7-hydroxy-3-4-hydroxyphenyl,7-hydroxy-3-4-hydroxyphenyl chromen-4-one,7-hydroxy-3-4-hydroxyphenyl-4-benzopyrone PubChem CID: 5281708 ChEBI: CHEBI:28197 IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
| PubChem CID | 5281708 |
|---|---|
| CAS | 486-66-8 |
| Molecular Weight (g/mol) | 254.241 |
| ChEBI | CHEBI:28197 |
| MDL Number | MFCD00016954 |
| SMILES | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O |
| Synonym | daidzein,4',7-dihydroxyisoflavone,daidzeol,7,4'-dihydroxyisoflavone,7-hydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,diadzein,7-hydroxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 7-hydroxy-3-4-hydroxyphenyl,7-hydroxy-3-4-hydroxyphenyl chromen-4-one,7-hydroxy-3-4-hydroxyphenyl-4-benzopyrone |
| IUPAC Name | 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one |
| InChI Key | ZQSIJRDFPHDXIC-UHFFFAOYSA-N |
| Molecular Formula | C15H10O4 |
Daidzin 98.0+%, TCI America™
CAS: 552-66-9 Molecular Formula: C21H20O9 Molecular Weight (g/mol): 416.38 MDL Number: MFCD00017466 InChI Key: KYQZWONCHDNPDP-QNDFHXLGSA-N Synonym: daidzin,daidzoside,daidzein 7-o-glucoside,daidzein 7-glucoside,daidzein-7-glucoside,daidzein 7-o-beta-d-glucoside,unii-4r2x91a5m5,daidzein-7-o-glucoside,7-beta-d-glucopyranosyloxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,7-o-b-d-glucopyranoside PubChem CID: 107971 ChEBI: CHEBI:42202 IUPAC Name: 3-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one SMILES: OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
| PubChem CID | 107971 |
|---|---|
| CAS | 552-66-9 |
| Molecular Weight (g/mol) | 416.38 |
| ChEBI | CHEBI:42202 |
| MDL Number | MFCD00017466 |
| SMILES | OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O |
| Synonym | daidzin,daidzoside,daidzein 7-o-glucoside,daidzein 7-glucoside,daidzein-7-glucoside,daidzein 7-o-beta-d-glucoside,unii-4r2x91a5m5,daidzein-7-o-glucoside,7-beta-d-glucopyranosyloxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,7-o-b-d-glucopyranoside |
| IUPAC Name | 3-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one |
| InChI Key | KYQZWONCHDNPDP-QNDFHXLGSA-N |
| Molecular Formula | C21H20O9 |
(+/-)-Equol 98.0+%, TCI America™
CAS: 94105-90-5 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD00016662 InChI Key: ADFCQWZHKCXPAJ-UHFFFAOYNA-N Synonym: 3-4-hydroxyphenyl chroman-7-ol,equol,+/--equol,r,s-equol,7,4'-homoisoflavane,4',7-dihydroxyisoflavane,rs-equol,3-4-hydroxyphenyl-7-chromanol,2h-1-benzopyran-7-ol, 3,4-dihydro-3-4-hydroxyphenyl,4',7-isoflavandiol PubChem CID: 382975 IUPAC Name: 3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol SMILES: OC1=CC=C(C=C1)C1COC2=C(C1)C=CC(O)=C2
| PubChem CID | 382975 |
|---|---|
| CAS | 94105-90-5 |
| Molecular Weight (g/mol) | 242.27 |
| MDL Number | MFCD00016662 |
| SMILES | OC1=CC=C(C=C1)C1COC2=C(C1)C=CC(O)=C2 |
| Synonym | 3-4-hydroxyphenyl chroman-7-ol,equol,+/--equol,r,s-equol,7,4'-homoisoflavane,4',7-dihydroxyisoflavane,rs-equol,3-4-hydroxyphenyl-7-chromanol,2h-1-benzopyran-7-ol, 3,4-dihydro-3-4-hydroxyphenyl,4',7-isoflavandiol |
| IUPAC Name | 3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol |
| InChI Key | ADFCQWZHKCXPAJ-UHFFFAOYNA-N |
| Molecular Formula | C15H14O3 |