Compound Identification
SMILES
CC(C)(C)OO[C@]12[C@@H]3C4=C5[C@]6(OOC(C)(C)C)C7=C8C9=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C%18C%19=C(C%20=C1C(=C9C1=C%20C(C%14=C%111)=C%16%19)[C@@]48OOC(C)(C)C)C2=C1C%18=C2C4=C8C9=C%11C(C%13=C%15C9=C%174)=C4C%12=C%10C7=C7C4=C%11C4=C8C8=C2[C@@]1(OOC(C)(C)C)[C@]3(O[C@@]5(O)[C@]8(OOC(C)(C)C)C4=C67)N=O
InChIKey
InChIKey=XEBAAGCHBIXRAM-LAWXOKEDSA-N
Formula
C80H47NO13
Mass
1230.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Terpene lactones
- Level 5 Quassinoids
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Subclass
Terpene lactones
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
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
Triphenylenes Chrysenes Phenanthrols Naphthopyrans Tetralins Naphthalenes Pyrans Hemiacetals Dialkyl peroxides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds C-nitroso compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quassinoid - Chrysene - Triphenylene - Phenanthrol - Naphthopyran - Phenanthrene - Naphthalene - Tetralin - Pyran - Benzenoid - Hemiacetal - Dialkyl peroxide - Organoheterocyclic compound - C-nitroso compound - Oxacycle - Organic nitroso compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen 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