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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002221

(1S,6R,7R,11S,19S)-11-(2,4-dihydroxyphenyl)-7-(3,5-dihydroxyphenyl)-6,19-bis(4-hydroxyphenyl)-5,18-dioxapentacyclo[11.6.1.02,10.04,8.017,20]icosa-2,4(8),9,13(20),14,16-hexaene-9,15-diol

Formula: C42H32O10  |  Mol. Weight: 696.70 g/mol

IUPAC: (1S,6R,7R,11S,19S)-11-(2,4-dihydroxyphenyl)-7-(3,5-dihydroxyphenyl)-6,19-bis(4-hydroxyphenyl)-5,18-dioxapentacyclo[11.6.1.02,10.04,8.017,20]icosa-2,4(8),9,13(20),14,16-hexaene-9,15-diol

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Overview

Molecular Formula C42H32O10
Molecular Weight 696.70 g/mol
Canonical SMILES C1C(C2=C(C3=C(C=C2C4C(OC5=CC(=CC1=C45)O)C6=CC=C(C=C6)O)OC(C3C7=CC(=CC(=C7)O)O)C8=CC=C(C=C8)O)O)C9=C(C=C(C=C9)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy