Compound Identification
SMILES
CC(=O)OC[C@@]1(C)[C@H]2CC[C@@]34C[C@@H](C[C@H](O)[C@H]3[C@]2(C)CCC1=O)C(=C)C4=O
InChIKey
InChIKey=HUQHJDCFQIVPAM-DLIGVDNUSA-N
Formula
C22H30O5
Mass
374.477
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Diterpenoids
- Level 5 Kaurane diterpenoids
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Subclass
Diterpenoids
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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
Diterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Kaurane diterpenoids
Alternative Parents
1-hydroxysteroids Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Kaurane diterpenoid - Hydroxysteroid - 1-hydroxysteroid - Steroid - Cyclic alcohol - Carboxylic acid ester - Ketone - Secondary alcohol - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Alcohol - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D.
External Descriptors
Not available