MetaADEDB 2.0 @ LMMD
lithospermic acid
(UJZQBMQZMKFSRV-RGKBJLTCSA-N)
Structure
SMILES
O=C(O[C@@H](C(=O)O)Cc1ccc(c(c1)O)O)/C=C/c1ccc(c2c1[C@H](C(=O)O)[C@H](O2)c1ccc(c(c1)O)O)O
Molecular Formula:
C27H22O12
Molecular Weight:
538.456
Log P:
2.7688
Hydrogen Bond Acceptor:
12
Hydrogen Bond Donor:
7
TPSA:
211.28
CAS Number(s):
28831-65-4
Synonym(s)
1.
lithospermic acid
2.
4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid
3.
monardic acid A
External Link(s)
MeSHC046833
PubChem Compound6441498
BindingDB50250808
CHEMBLCHEMBL518243
Therapeutic Target DatabaseD06ALC
ZINC4097774
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Arthritis, Gouty18694741CTD
2Inflammation18694741CTD
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