Caffeic Acid
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Molecular Identity
Caffeic Acid
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
PubChem CID: 689043
2D Structure
Properties
C9H8O4
Molecular Formula
180.16
Molecular Weight
g/mol
180.0423
Exact Mass
Da
1.2
XLogP
Drug-like (Lipinski: < 5)
77.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
212
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)OIsomeric SMILES
SMILES: C1=CC(=C(C=C1/C=C/C(=O)O)O)OSynonyms(20)
caffeic acid3,4-Dihydroxycinnamic acid331-39-53,4-Dihydroxybenzeneacrylic acid3-(3,4-Dihydroxyphenyl)-2-propenoic acidCinnamic acid, 3,4-dihydroxy-(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-4-(2-Carboxyethenyl)-1,2-dihydroxybenzene3-(3,4-Dihydroxyphenyl)propenoic acid4-(2'-Carboxyvinyl)-1,2-dihydroxybenzeneNSC 57197U2S3A33KVMNSC-57197NSC-623438
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Caffeic Acid
Loading drug network...