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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016186

[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]-[(1R,2R,6S)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-en-1-yl]methanone

Formula: C39H38O10  |  Mol. Weight: 666.70 g/mol

IUPAC: [2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]-[(1R,2R,6S)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-en-1-yl]methanone

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Overview

Molecular Formula C39H38O10
Molecular Weight 666.70 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)CCC(C)(C)O)O)C4=C(C=C5C(=C4)C=C(O5)C6=CC(=CC(=C6)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy