Compound Identification
SMILES
C[C@@]12COCO[C@@H]1CC[C@@]1(C)[C@H](CC(O)C3=CCOC3=O)C(=C)CC[C@H]21
InChIKey
InChIKey=QDJQGABSWSNQQK-XLOAUKMZSA-N
Formula
C21H30O5
Mass
362.466
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Terpene lactones
- Level 5 Diterpene lactones
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Subclass
Terpene lactones
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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
Terpene lactones
Intermediate Tree Nodes
Not available
Direct Parent
Diterpene lactones
Alternative Parents
Colensane and clerodane diterpenoids 16-hydroxysteroids Butenolides 1,3-dioxanes Enoate esters Secondary alcohols Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Diterpene lactone - Clerodane diterpenoid - Diterpenoid - 16-hydroxysteroid - Hydroxysteroid - Steroid - Meta-dioxane - 2-furanone - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic oxide - 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