MetaADEDB 2.0 @ LMMD
caffeic acid
(QAIPRVGONGVQAS-DUXPYHPUSA-N)
Structure
SMILES
OC(=O)/C=C/c1ccc(c(c1)O)O
Type(s)
Experimental; Investigational
Molecular Formula:
C9H8O4
Molecular Weight:
180.157
Log P:
1.1956
Hydrogen Bond Acceptor:
4
Hydrogen Bond Donor:
3
TPSA:
77.76
CAS Number(s):
331-39-5; 331-89-5; 501-16-6; 71693-97-5
Synonym(s)
1.
caffeic acid
2.
3,4-dihydroxycinnamic acid
3.
caffeic acid, (E)-isomer
4.
caffeic acid, (Z)-isomer
5.
caffeic acid, monosodium salt
6.
sodium caffeate
External Link(s)
MeSHC040048
PubChem Compound689043
BindingDB4375
ChEBI16433
36281
CHEMBLCHEMBL145
DrugBankDB01880
IUPHAR/BPS Guide to PHARMACOLOGY5155
KEGGcpd:C01197
cpd:C01481
Therapeutic Target DatabaseD00HIB
D0V9EN
ZINC58172
Adverse Drug Event(s)
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