Compound Identification
SMILES
COC1=CC2=C(C=C1)C(=O)\C(=C1/OC(=CC3=C(O)N(C4CC5CCC4C5)C(=S)S3)C=C1)C(=O)O2
InChIKey
InChIKey=JVQBUGLPZWIBAK-VNFXHDRQSA-N
Formula
C25H21NO6S2
Mass
495.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Terpene lactones
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Class
Prenol lipids
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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
Terpene lactones
Alternative Parents
Chromones 3,4-dihydrocoumarins Aromatic monoterpenoids Aryl ketones Anisoles Alkyl aryl ethers Thiazoles Heteroaromatic compounds Furans Enoate esters Dihydrofurans Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Terpene lactone - Chromone - 3,4-dihydrocoumarin - Norbornane monoterpenoid - 1-benzopyran - Monoterpenoid - Benzopyran - Chromane - Aromatic monoterpenoid - Aryl ketone - Anisole - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Furan - Dihydrofuran - Azole - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
External Descriptors
Not available