Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(N[C@@]23C4=C5O[C@@]6(O)[C@@]22O[C@]22C7=C8C9=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C%18C%15=C%15C(=C%11%14)C9=C9C%15=C%11C%18=C%14C%15=C%18C%19=C%20C%21=C%22C(=C%16C%13=C%22C%13=C%12C(=C%10[C@@]68OOC(C)(C)C)[C@@]5(OOC(C)(C)C)C%13=C%21[C@@]4(OOC(C)(C)C)C%20=C4C%18=C5C%14=C%11C(=C79)[C@]2(OC(C)(C)C)[C@]52O[C@]342)C%19=C%17%15)C=C1

InChIKey

InChIKey=VGKLWENRKRKSHT-LAASBPTESA-N

Formula

C83H45NO12

Mass

1248.268

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Terpene lactones

Intermediate Tree Nodes

Not available

Direct Parent

Quassinoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Quassinoid - Chrysene - Triphenylene - Phenanthrol - Naphthopyran - Phenanthrene - Benzopyran - Naphthalene - Tetralin - 2-benzopyran - Aminophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Aralkylamine - Oxepane - Pyran - Benzenoid - Monocyclic benzene moiety - Dialkyl peroxide - Hemiacetal - Organoheterocyclic compound - Oxacycle - Secondary amine - Dialkyl ether - Oxirane - Ether - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as quassinoids. These are a group of compounds chemically degraded from triterpenes. According to their basic skeleton, quassinoids are categorized into five distinct groups, C-18, C-19, C-20, C-22 and C-25 types. The C-20 quassinoids can be further classified into two types, tetracyclic and the pentacyclic. The tetracyclic variety does not have oxygenation at C-20, while the pentacyclic quassinoids possess additional oxygenation at C-20 that allows for the formation of an additional ring.

External Descriptors

Not available

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