| Phytochemical Name : Methyl caffeate |
| PCNDIDM0095 |
| Pubchem CID : 689075 |
| Molecular formula: C10H10O4 |
| Canonical SMILES : COC(=O)C=CC1=CC(=C(C=C1)O)O |
Synonymes : Methyl caffeate|3843-74-1|Caffeic acid methyl ester|methyl 3-(3,4-dihydroxyphenyl)acrylate|67667-67-8|(E)-methyl 3-(3,4-dihydroxyphenyl)acrylate|Methyl 3,4-dihydroxycinnamate|Caffeic acid, methyl ester|METHYLCAFFEATE|methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate|Methyl caffeate acid|UNII-N79173B9HF|CHEBI:6856|methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate|N79173B9HF|E-Caffeic acid methyl ester|CHEMBL17001|methyl-3,4-dihydroxy cinnamate|142234-81-9|methyl (E)-3-(3,4-dihydroxyphenyl)acrylate|Cinnamic acid, 3,4-dihydroxy-, methyl ester|methyl (2E)-3-(3,4-dihydroxyphenyl)acrylate|2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester|(E)-3,4-Dihydroxycinnamic Acid Methyl Ester|methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate|MFCD00210468|3,4-dihydroxycinnamic acid methyl ester|Caffeic acid methyl|(E)-Methyl3-(3,4-dihydroxyphenyl)acrylate|3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester|(E)-Caffeic acid methyl ester|DTXSID401030290|HY-N6005|AC9787|BDBM50029209|STK523948|AKOS003263230|AS-56651|AS-65428|CS-0032054|Methyl 1-(3',4'-Dihydroxyphenyl)Propenate|C-1420|E80647|Methyl 1-(3'',4''-dihydroxyphenyl)propenate|A824271|methyl (E)-3-(3,4-dihydroxyphenyl)-2-propenoate|J-502041|Q6823935|(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester|methyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate|(E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid methyl ester|2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester, (E)- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.810 |
| Log Po/w (XLOGP3) : 1.480 |
| Log Po/w (WLOGP) : 1.180 |
| Log Po/w (MLOGP) : 1.000 |
| Log Po/w (SILICOS-IT) : 1.260 |
| Consensus Log Po/w : 1.350 |