Compound Identification
SMILES
CC1CC(=O)C(O)C2(C)C3C4(O)OCC33C(CC12)OC(=O)C(OC(=O)C1=CC=CC=C1)C3C(C)C4O
InChIKey
InChIKey=ZTONFUHJTDQOHU-UHFFFAOYSA-N
Formula
C27H32O9
Mass
500.544
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
Naphthopyrans Naphthalenes Benzoic acid esters Benzoyl derivatives Oxepanes Delta valerolactones Pyrans Oxanes Dicarboxylic acids and derivatives Tetrahydrofurans Secondary alcohols Hemiacetals Cyclic ketones Cyclic alcohols and derivatives Carboxylic acid esters Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Oxepane - Delta_valerolactone - Delta valerolactone - Benzenoid - Pyran - Oxane - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Tetrahydrofuran - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Lactone - Ketone - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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