Compound Identification
SMILES
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@H]4C(=O)COC5O[C@@H](CC345)C21
InChIKey
InChIKey=ACLQUYHRDOCPTN-NXRGRMBKSA-N
Formula
C21H26O4
Mass
342.435
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
-
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
Furopyrans Oxepanes Cyclohexenones Pyrans Oxanes Oxolanes Furans Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Iridoid-skeleton - Furopyran - Oxepane - Cyclohexenone - Pyran - Oxane - Oxolane - Furan - Cyclic ketone - Ketone - Oxacycle - Organoheterocyclic compound - Acetal - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aldehyde - 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