Compound Identification
SMILES
CCCCC(=O)O[C@@H]1C2CCC3[C@@]1(C[C@@]2(C)O)CC(O)C1(O)C(CC(O)C1(C)C)[C@]3(C)O
InChIKey
InChIKey=VBPODEAYFUFNNY-AQCGHGIRSA-N
Formula
C25H42O7
Mass
454.604
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Diterpenoids
- Level 5 Grayanoids
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Subclass
Diterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Grayanoids
Direct Parent
Leucothol and grayanotoxane diterpenoids
Alternative Parents
Fatty acid esters Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Polyols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Grayanotoxane diterpenoid - Fatty acid ester - Fatty acyl - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Polyol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as leucothol and grayanotoxane diterpenoids. These are diterpenoids with a structure based either on the leucothol or the grayanotoxane skeleton.
External Descriptors
Not available