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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033821

2-(2,4-dihydroxyphenyl)-8-[(1R,5R,6S)-6-(2,4-dihydroxyphenyl)-5-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one

Formula: C45H44O11  |  Mol. Weight: 760.80 g/mol

IUPAC: 2-(2,4-dihydroxyphenyl)-8-[(1R,5R,6S)-6-(2,4-dihydroxyphenyl)-5-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one

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Overview

Molecular Formula C45H44O11
Molecular Weight 760.80 g/mol
Canonical SMILES CC1=CC(C(C(C1)C(=O)C2=C(C3=C(C=C2)OC(CC3)(C)C)O)C4=C(C=C(C=C4)O)O)C5=C(C=C(C6=C5OC(=C(C6=O)CC=C(C)C)C7=C(C=C(C=C7)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy