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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008802

1-[3,5-Bis[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methyl-1-oxopropyl)phenyl]methyl]-2,4,6-trihydroxyphenyl]-2-methyl-1-butanone

Formula: C37H46O12  |  Mol. Weight: 682.80 g/mol

IUPAC: 1-[3,5-bis[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]-2,4,6-trihydroxyphenyl]-2-methylbutan-1-one

Overview

Molecular Formula C37H46O12
Molecular Weight 682.80 g/mol
Canonical SMILES CCC(C)C(=O)C1=C(C(=C(C(=C1O)CC2=C(C(=C(C(=C2O)C)OC)C(=O)C(C)C)O)O)CC3=C(C(=C(C(=C3O)C)OC)C(=O)C(C)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy