Structure Information
Structure

Compound Identification

SMILES

CNC(C)C1C(CC2(C)C3CCC4C(CCC(NC(=O)C5=CC=CC=C5)C4(C)C)=CC3=CCC12C)OC(C)=O

InChIKey

InChIKey=PAYBPGDQZXJNMH-UHFFFAOYSA-N

Formula

C34H48N2O3

Mass

532.769

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroidal alkaloids

Intermediate Tree Nodes

Not available

Direct Parent

Buxus alkaloids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Abeo-9(10->19)-4,4-14(alpha)-trimethyl-5(alpha)-pregnane-skeleton - Abeoabietane diterpenoid - Diterpenoid - Benzamide - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Secondary aliphatic amine - Organooxygen compound - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as buxus alkaloids. These are alkaloids with a triterpenoid-steroid pregnane type structure with C-4 methyl groups, a 9beta,10beta-cycloartenol system, and a degraded C-20 side chain. Structurally, they are derivatives of either a 9beta,10beta-cyclo-4,4,14alpha-trimethyl-5alpha-pregnane or a 9(10->19)abeo 4,4,14alpha-trimethyl-5alpha-pregnane system.

External Descriptors

Not available

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