Compound Identification
SMILES
COC1OCC2(C)CCCC3(COC(=O)C45CC(CCC34)C(C)C5=O)C12
InChIKey
InChIKey=YPVJSAYFTDREBJ-UHFFFAOYSA-N
Formula
C21H30O5
Mass
362.466
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
- Level 5 Diterpene lactones
-
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
Diterpene lactones
Alternative Parents
Kaurane diterpenoids Isobenzofurans Delta valerolactones Oxanes Oxolanes Ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Diterpene lactone - Diterpenoid - Kaurane diterpenoid - Isobenzofuran - Delta valerolactone - Delta_valerolactone - Oxane - Oxolane - Carboxylic acid ester - Ketone - Lactone - Oxacycle - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.
External Descriptors
Not available