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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034956

Grayanotoxin IX

Formula: C22H32O5  |  Mol. Weight: 376.50 g/mol

IUPAC: [(1S,3R,4R,6S,8S,10S,13S,16R)-3,4,6-trihydroxy-5,5,14-trimethyl-9-methylidene-16-tetracyclo[11.2.1.01,10.04,8]hexadec-14-enyl] acetate

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Overview

Molecular Formula C22H32O5
Molecular Weight 376.50 g/mol
Canonical SMILES CC1=CC23CC(C4(C(CC(C4(C)C)O)C(=C)C2CCC1C3OC(=O)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy