Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(=C1)C(=O)N(C)[C@H]1CC[C@@H]2CC3=CC[C@]4(C)[C@H](CC[C@@]4(C)[C@@H]3CC[C@H]2[C@@]1(C)CO)[C@H](C)N(C)C

InChIKey

InChIKey=CIFKMJZMSQMICJ-NMQALFPKSA-N

Formula

C35H54N2O4

Mass

566.827

Export to:

JSON SDF CSV

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 - Methoxyphenol - Benzamide - Benzoic acid or derivatives - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Ether - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alcohol - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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

Previous Back Next