Compound Identification
SMILES
COC(=O)C([C@H]1CC[C@H](OCC2=CC=CC=C2)[C@@]1(O)COCC1=CC=CC=C1)C(C)(O)CCC1=CC=CC=C1
InChIKey
InChIKey=HKNMRDSBCNXGGR-ZVUIRENXSA-N
Formula
C33H40O6
Mass
532.677
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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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
Monocyclic monoterpenoids Aromatic monoterpenoids Benzylethers Fatty acid esters Cyclopentanols Tertiary alcohols Methyl esters Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aromatic monoterpenoid - 11-noriridane monoterpenoid - Monocyclic monoterpenoid - Benzylether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Cyclopentanol - Cyclic alcohol - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic 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