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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031838

(2E)-3-(2,4-Dihydroxyphenyl)-1-[3-[(1S,5S,6R)-5-(2,4-dihydroxyphenyl)-6-[(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)carbonyl]-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-2-propen-1-one

Formula: C40H36O10  |  Mol. Weight: 676.70 g/mol

IUPAC: (E)-3-(2,4-dihydroxyphenyl)-1-[3-[(1S,5S,6R)-5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethylchromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]prop-2-en-1-one

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Overview

Molecular Formula C40H36O10
Molecular Weight 676.70 g/mol
Canonical SMILES CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C4=C(C=C3)OC(C=C4)(C)C)O)C5=C(C=CC(=C5O)C(=O)C=CC6=C(C=C(C=C6)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy