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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009719

1-[2-[[4,6-Dihydroxy-7-(3-methylbutanoyl)-2-[[2,4,6-trihydroxy-3-(3-methylbutanoyl)phenyl]methyl]-1-benzofuran-3-yl]methyl]-4,6-dihydroxy-1-benzofuran-5-yl]-3-methylbutan-1-one

Formula: C39H42O12  |  Mol. Weight: 702.70 g/mol

IUPAC: 1-[2-[[4,6-dihydroxy-7-(3-methylbutanoyl)-2-[[2,4,6-trihydroxy-3-(3-methylbutanoyl)phenyl]methyl]-1-benzofuran-3-yl]methyl]-4,6-dihydroxy-1-benzofuran-5-yl]-3-methylbutan-1-one

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Overview

Molecular Formula C39H42O12
Molecular Weight 702.70 g/mol
Canonical SMILES CC(C)CC(=O)C1=C(C2=C(C=C1O)OC(=C2)CC3=C(OC4=C3C(=CC(=C4C(=O)CC(C)C)O)O)CC5=C(C(=C(C=C5O)O)C(=O)CC(C)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy