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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP105364

xenovulene A

Formula: C22H30O4  |  Mol. Weight: 358.50 g/mol

IUPAC: (1S,2S,5E,9E,12R,17R,20S)-15-hydroxy-5,8,8,12-tetramethyl-13,19-dioxatetracyclo[12.5.1.02,12.017,20]icosa-5,9,14-trien-16-one

Overview

Molecular Formula C22H30O4
Molecular Weight 358.50 g/mol
Canonical SMILES CC1=CCC(C=CCC2(C(CC1)C3C4C(CO3)C(=O)C(=C4O2)O)C)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy

Disease Associations