Compound Identification
SMILES
CC(CCC=C(C)C(O)=O)C1CCC2(C)CC3C(C)=CC(=O)C3=C(C)C(O)CC12
InChIKey
InChIKey=URTLRCMSNCFBBU-UHFFFAOYSA-N
Formula
C25H36O4
Mass
400.559
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Sesterterpenoids
- Level 5 Ophiobolane sesterterpenoids
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Subclass
Sesterterpenoids
-
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
Ophiobolane sesterterpenoids
Alternative Parents
Medium-chain fatty acids Methyl-branched fatty acids Hydroxy fatty acids Unsaturated fatty acids Secondary alcohols Ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ophiobolane sesterterpenoid - Medium-chain fatty acid - Branched fatty acid - Hydroxy fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Ketone - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as ophiobolane sesterterpenoids. These are sesterterpnoids with a structure based on the ophiobolane backbone. Ophiobolane is a tricyclic compound consisting of two cyclopentane rings joined by a cyclooctane ring, and carries a methyl group at the 1-, 4-, and 8-position, as well as a 6-methylheptane group at the 12-position.
External Descriptors
Not available