ellipticine

Synonyms: "Elliptisine", "5,11-dimethyl-6H-pyrido[4,3-b]carbazole", "5,11-dimethyl-6H-pyrido(4,3-b)carbazole", "5,11-dimethylpyrido[4,3-b]carbazole".

Source: Ellipticine is a natural plant product that has been found to be a powerful anticancer drug.

Identifiers:

IUPAC Name: 5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CAS Number: 519-23-3
PubChem ID: 3213
InChiKey: CTSPAMFJBXKSOY-UHFFFAOYSA-N
Canonical SMILES: CC1=C2C(=C(C3=C1C=CN=C3)C)C4=CC=CC=C4N2

Structural Properties:

Molecular Formula: C₁₇H₁₄N₂
Molecular Weight: 246.313

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 19

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Bigelow SW, Nebert DW. 1982. The Ah regulatory gene product. Survey of nineteen polycyclic aromatic compounds' and fifteen benzo[a]pyrene metabolites' capacity to bind to the cytosolic receptor. Toxicol Lett 10(1):109-118. DOI: 10.1016/0378-4274(82)90276-4. URL: http://www.sciencedirect.com/science/article/pii/0378427482902764.