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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009354

(E)-3-phenyl-1-[(1R,2R,11S)-7,9,15-trihydroxy-3,3,8,14,19,19-hexamethyl-16-[(E)-3-phenylprop-2-enoyl]-4,12,18-trioxapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-5(10),6,8,13(21),14,16-hexaen-6-yl]prop-2-en-1-one

Formula: C42H40O8  |  Mol. Weight: 672.80 g/mol

IUPAC: (E)-3-phenyl-1-[(1R,2R,11S)-7,9,15-trihydroxy-3,3,8,14,19,19-hexamethyl-16-[(E)-3-phenylprop-2-enoyl]-4,12,18-trioxapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-5(10),6,8,13(21),14,16-hexaen-6-yl]prop-2-en-1-one

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Overview

Molecular Formula C42H40O8
Molecular Weight 672.80 g/mol
Canonical SMILES CC1=C(C2=C(C(=C1O)C(=O)C=CC3=CC=CC=C3)OC(C4C2OC5=C6C4CC(OC6=C(C(=C5C)O)C(=O)C=CC7=CC=CC=C7)(C)C)(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy