Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OO[C@@]12C3=C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C9C9=C%14C%13=C%13C%15=C%16C%17=C%18C%19=C%20C%21=C(C%11=C%19C%12=C%13%17)C(=C7%10)C7=C6[C@]4(OOC(C)(C)C)C4=C1O[C@]1(OO)C(=C4[C@@]%217OOC(C)(C)C)[C@@]%20(OOC(C)(C)C)C%18=C4C%16=C6C7=C%10C(C%14=C%157)=C7C9=C8C5=C7C3=C%10C2=C6[C@]14OOC(C)(C)C

InChIKey

InChIKey=FNCXYUFVAAHDSG-WPDYOACPSA-N

Formula

C80H46O13

Mass

1215.235

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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 - Naphthopyran - Phenanthrene - Naphthalene - Tetralin - Pyran - Benzenoid - Hydroperoxide - Dialkyl peroxide - Oxacycle - Peroxol - Alkyl hydroperoxide - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - 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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