Compound Identification
SMILES
COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)\C=C(\C1=CC=CC=C1)C(F)(F)F)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)C2O
InChIKey
InChIKey=JLHWUUZAGPHWJG-FZXPFJSYSA-N
Formula
C31H31F3O11
Mass
636.573
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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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 Cinnamic acid esters Naphthalenes Tricarboxylic acids and derivatives Furopyrans Styrenes Beta hydroxy acids and derivatives Oxepanes Cyclohexenones Delta valerolactones Fatty acid esters Pyrans Oxanes Tetrahydrofurans Enoate esters Furans Methyl esters Cyclic alcohols and derivatives 1,2-diols Secondary alcohols Enols Dialkyl ethers Oxacyclic compounds Alkyl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Cinnamic acid or derivatives - Cinnamic acid ester - Naphthalene - Furopyran - Tricarboxylic acid or derivatives - Styrene - Delta_valerolactone - Cyclohexenone - Fatty acid ester - Delta valerolactone - Oxepane - Beta-hydroxy acid - Benzenoid - Hydroxy acid - Oxane - Pyran - Monocyclic benzene moiety - Fatty acyl - Methyl ester - Furan - Enoate ester - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Tetrahydrofuran - Lactone - 1,2-diol - Ketone - Cyclic ketone - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Polyol - Dialkyl ether - Enol - Ether - Alkyl fluoride - Alcohol - Organic oxygen compound - Carbonyl group - Alkyl halide - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen 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