Compound Identification
SMILES
CC1(C)CCC[C@@]2(C)C1CC[C@@]1(C)[C@H](\C=C\C3=CC(=O)OC3O)[C@H](CC[C@H]21)C(O)=O
InChIKey
InChIKey=QBUNBRGDEZXPAU-GGBUSUPCSA-N
Formula
C25H36O5
Mass
416.558
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Sesterterpenoids
- Level 5 Cheilanthane sesterterpenoids
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Subclass
Sesterterpenoids
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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
Sesterterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Cheilanthane sesterterpenoids
Alternative Parents
17-oxosteroids 17-hydroxysteroids Hydrophenanthrenes Dicarboxylic acids and derivatives Butenolides Enoate esters Lactones Hemiacetals Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cheilanthane sesterterpenoid - Hydroxysteroid - 17-oxosteroid - Oxosteroid - 17-hydroxysteroid - Steroid - Hydrophenanthrene - Phenanthrene - 2-furanone - Dicarboxylic acid or derivatives - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Hemiacetal - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cheilanthane sesterterpenoids. These are sesterterpnoids with a structure based on the cheilanthane backbone. Cheilanthane is a tricyclic compound consisting of a tetradecahydrophenanthrene ring system that carries two methyl groups at the 1-position, one methyl group at the 4a-,7-, and 8a-positions, as well as a 3-methylpentyl group at the 8-position.
External Descriptors
Not available