Compound Identification
SMILES
CC1CC2OC(=O)C3(OC4CC5C(CC(C)C4(O)C=C3C(C)=O)OC(=O)C5=C)C2CC2OC12C=CC(C)=O
InChIKey
InChIKey=SWQFFFCGVOKUSC-UHFFFAOYSA-N
Formula
C29H34O9
Mass
526.582
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
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Level 5
Sesquiterpene lactones
- Level 6 Xanthanolides
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Level 5
Sesquiterpene lactones
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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
Sesquiterpene lactones
Direct Parent
Xanthanolides
Alternative Parents
Sesquiterpenoids Dicarboxylic acids and derivatives Gamma butyrolactones Pyrans Acryloyl compounds Tetrahydrofurans Enoate esters Enones Tertiary alcohols Cyclic alcohols and derivatives Ketones Epoxides Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Xanthanolide-skeleton - Sesquiterpenoid - Dicarboxylic acid or derivatives - Gamma butyrolactone - Pyran - Acryloyl-group - Cyclic alcohol - Enone - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Ketone - Lactone - Organoheterocyclic compound - Ether - Oxirane - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthanolides. These are sesquiterpenoids with a structure based on the xanthanolide skeleton consistsing of a cycloheptane ring usually attached to a four-carbon chain (at carbon 1 ) and a methyl group (at carbon 10), and fused to a five-member lactone ring (sharing carbons 7 and 8). The lactone ring can be conjugated with a methyl or methylene group at position 11.
External Descriptors
Not available