Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)N1C=C(CO[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC[C@@H]3[C@H]5[C@@H](CC[C@@]5(CC[C@@]43C)C(O)=O)C(C)=C)C2(C)C)N=N1

InChIKey

InChIKey=JHLMREYJLSMARD-BJMSDPACSA-N

Formula

C40H57N3O4

Mass

643.913

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Triterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Triterpenoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Triterpenoid - 18-hydroxysteroid - 18-oxosteroid - Oxosteroid - Hydroxysteroid - Steroid - Phenyltriazole - Phenyl-1,2,3-triazole - Methoxyaniline - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Azole - Triazole - Heteroaromatic compound - 1,2,3-triazole - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

External Descriptors

Not available

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