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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005148

4-Demethylcalycopterone

Formula: C34H32O10  |  Mol. Weight: 600.60 g/mol

IUPAC: (1R,5S,7R,13R,20R)-5,11-dihydroxy-10,13,14,15-tetramethoxy-7,20-diphenyl-2,8,21-trioxapentacyclo[11.8.0.01,17.03,12.04,9]henicosa-3,9,11,14,17-pentaen-16-one

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Overview

Molecular Formula C34H32O10
Molecular Weight 600.60 g/mol
Canonical SMILES COC1=C2C(=C3C(=C1O)C4(C(=C(C(=O)C5=CCC(OC54O3)C6=CC=CC=C6)OC)OC)OC)C(CC(O2)C7=CC=CC=C7)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy