Compound Identification
SMILES
CC1=C(O)C(=O)[C@@]2(CO)[C@@H](C1)O[C@@H]1[C@H](O)C[C@@]2(C)C11CO1
InChIKey
InChIKey=LUPIUPBXUZANOK-HQIDQWOOSA-N
Formula
C15H20O6
Mass
296.319
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Monoterpenoids
- Level 5 Iridoids and derivatives
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Subclass
Monoterpenoids
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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
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Iridoids and derivatives
Alternative Parents
Fatty alcohols b'-hydroxy-alpha,beta-unsaturated ketones Oxepanes Cyclohexenones Oxanes Beta-hydroxy ketones Alpha-branched alpha,beta-unsaturated ketones Enones Alpha-hydroxy ketones Acryloyl compounds Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Secoiridoid-skeleton - Fatty alcohol - Cyclohexenone - B'-hydroxy-alpha,beta-unsaturated-ketone - Oxepane - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Oxane - Beta-hydroxy ketone - Alpha,beta-unsaturated ketone - Enone - Cyclic alcohol - Alpha-hydroxy ketone - Acryloyl-group - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.
External Descriptors
Not available