Compound Identification
SMILES
CO[C@H]1[C@H](C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4CC[C@H](OC(C)=O)C(=O)[C@@]4(C)[C@@H]([C@@H]1OC(=O)C1=CC4=C(OCO4)C=C1)[C@@]23C
InChIKey
InChIKey=YCZNVLDLPPSWPK-ALONZOPOSA-N
Formula
C30H36O10
Mass
556.608
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
- Level 5 Quassinoids
-
Subclass
Terpene lactones
-
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 Tricarboxylic acids and derivatives Benzodioxoles Delta valerolactones Alpha-acyloxy ketones Pyrans Oxanes Ketones Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quassinoid - Naphthopyran - Naphthalene - Tricarboxylic acid or derivatives - Benzodioxole - Alpha-acyloxy ketone - Delta_valerolactone - Delta valerolactone - Benzenoid - Pyran - Oxane - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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