Compound Identification
SMILES
C[C@@H]1[C@H](CC[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3CC(=O)C[C@@H]2[C@@]13COC(=O)C1=CC=CC=C1)OCC1=CC=CC=C1
InChIKey
InChIKey=PKKNMOHHVFVWTD-YZOXWVTMSA-N
Formula
C33H38O6
Mass
530.661
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
- Level 5 Quassinoids
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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 Benzoic acid esters Benzylethers Benzoyl derivatives Delta valerolactones Pyrans Oxanes Cyclic ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quassinoid - Naphthopyran - Benzoate ester - Naphthalene - Benzoic acid or derivatives - Benzylether - Benzoyl - Delta valerolactone - Delta_valerolactone - Monocyclic benzene moiety - Benzenoid - Pyran - Oxane - Carboxylic acid ester - Cyclic ketone - Ketone - Lactone - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - 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