Compound Identification
SMILES
C[C@H]1[C@@H](O)C2(O)OC[C@]34[C@H]2[C@@]2(C)[C@H](OC(C)=O)C(=O)C=C(C)[C@@H]2[C@@H](OC(=O)C=C(C)C)[C@H]3OC(=O)C[C@@H]14
InChIKey
InChIKey=OHJCNXCFDSEHFX-LDNFHVQJSA-N
Formula
C27H34O10
Mass
518.559
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
Triterpenoids Naphthopyrans Fatty alcohol esters Naphthalenes Tricarboxylic acids and derivatives Oxepanes Fatty acid esters Delta valerolactones Cyclohexenones Alpha-acyloxy ketones Pyrans Oxanes Hemiketals Tetrahydrofurans Enones Enoate esters Acryloyl compounds Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Fatty alcohol ester - Naphthalene - Tricarboxylic acid or derivatives - Cyclohexenone - Alpha-acyloxy ketone - Oxepane - Delta_valerolactone - Fatty acid ester - Delta valerolactone - Fatty acyl - Pyran - Oxane - Hemiketal - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Enone - Cyclic alcohol - Acryloyl-group - Cyclic ketone - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic 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