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CRDB_AN000002

PubChem Compound ID CID10022040
CRDB ID CRDB_AN000002
Molecular Formula C20H18O7
IUPAC Name [(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC CAS Name (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] ester
IUPAC Traditional Name (E)-3-(3,4-dihydroxyphenyl)acrylic acid [(E)-4-(4-hydroxy-3-methoxy-phenyl)-2-keto-but-3-enyl] ester
Common Name NA
SMILES COC1=C(C=CC(=C1)C=CC(=O)COC(=O)C=CC2=CC(=C(C=C2)O)O)O
2D Structure
Molecular Weight 370.35272
Exact Mass 370.105253
TPSA 113
XLOGP3_AA 2.9
H-Bond Donor 3
H-Bond Acceptor 7
Rotatable Bond 8
Heavy Atom Count 27
Tautomer Count 176
Total Charge 0
Author 0
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