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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024024

Nigellic acid

Formula: C15H20O5  |  Mol. Weight: 280.32 g/mol

IUPAC: (2E,4E)-5-[1-hydroxy-2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid

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Overview

Molecular Formula C15H20O5
Molecular Weight 280.32 g/mol
Canonical SMILES CC(=CC(=O)O)C=CC1(C(=CC(=O)CC1(C)C)CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy