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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016281

(2R,3R)-2-[5-[(1R,5S,6R)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl]-3,7-dihydroxy-2,3-dihydrochromen-4-one

Formula: C40H38O10  |  Mol. Weight: 678.70 g/mol

IUPAC: (2R,3R)-2-[5-[(1R,5S,6R)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl]-3,7-dihydroxy-2,3-dihydrochromen-4-one

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Overview

Molecular Formula C40H38O10
Molecular Weight 678.70 g/mol
Canonical SMILES CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=CC(=C(C=C4)O)C5C(C(=O)C6=C(O5)C=C(C=C6)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy