Compound Identification
SMILES
C[C@@]1(C[C@@]2(O)[C@@H]3CCC(=C)[C@@H]4CCC(=C)[C@@H]4[C@H]3OC2=O)CCC(=O)[C@]2(C)CCC3[C@H](OC(=O)C3=C)[C@@H]12
InChIKey
InChIKey=DLIISCBVNDNVDV-HUAZKTASSA-N
Formula
C30H38O6
Mass
494.628
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
-
Level 5
Sesquiterpene lactones
- Level 6 Guaianolides and derivatives
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Level 5
Sesquiterpene 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
Sesquiterpene lactones
Direct Parent
Guaianolides and derivatives
Alternative Parents
Eudesmanolides, secoeudesmanolides, and derivatives Guaianes Eremophilanolides and secoeremophilanolides Naphthofurans Gamma butyrolactones Dicarboxylic acids and derivatives Tertiary alcohols Oxolanes Enoate esters Ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Eudesmanolide - Guaianolide-skeleton - Eremophilanolide or secoeremophilanolide - Guaiane sesquiterpenoid - Sesquiterpenoid - Naphthofuran - Dicarboxylic acid or derivatives - Gamma butyrolactone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Oxolane - Tertiary alcohol - Lactone - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative.
External Descriptors
Not available