Compound Identification
SMILES
[Ca++].COC(=O)C1=CC[C@]23CC[C@H]([C@@]2([O-])CC1)[C@](C)(OC3=O)\C=C\C=C(/C)C([O-])=NC1=CC=NC=C1
InChIKey
InChIKey=BFCWAJPRRDQFFQ-FPUOGITOSA-M
Formula
C26H28CaN2O6
Mass
504.596
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
Sphenolobane diterpenoids Delta valerolactones Oxepanes Pyridines and derivatives Dicarboxylic acids and derivatives Oxanes Methyl esters Heteroaromatic compounds Enoate esters Organic calcium salts Azacyclic compounds Carboximidic acids Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Alkoxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diterpene lactone - Diterpenoid - Prenyldaucane diterpenoid - Caprolactone - Delta valerolactone - Delta_valerolactone - Oxepane - Dicarboxylic acid or derivatives - Oxane - Pyridine - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Lactone - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Organic calcium salt - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Alkoxide - Organic zwitterion - Aromatic 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