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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005492

[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-[(1S,2R,6R)-6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone

Formula: C39H38O9  |  Mol. Weight: 650.70 g/mol

IUPAC: [2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-[(1S,2R,6R)-6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone

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Overview

Molecular Formula C39H38O9
Molecular Weight 650.70 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=C(C=C(C=C4O)C=CC5=C(C=C(C=C5)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy