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CRDB_AN000003

PubChem Compound ID CID10070122
CRDB ID CRDB_AN000003
Molecular Formula C23H22O7
IUPAC Name [4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] acetate
IUPAC CAS Name acetic acid [4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] ester
IUPAC Traditional Name acetic acid [4-[(1E,6E)-7-(4-hydroxy-3-methoxy-phenyl)-3,5-diketo-hepta-1,6-dienyl]-2-methoxy-phenyl] ester
Common Name NA
SMILES CC(=O)OC1=C(C=C(C=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)OC
2D Structure
Molecular Weight 410.41658
Exact Mass 410.136553
TPSA 99.1
XLOGP3_AA 3.3
H-Bond Donor 1
H-Bond Acceptor 7
Rotatable Bond 10
Heavy Atom Count 30
Tautomer Count 17
Total Charge 0
Author 0
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