Compound Identification
SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)C33OC3C[C@]2(C)[C@@]1(Br)C(=O)CO
InChIKey
InChIKey=AHRBEUCKLPVLDF-HBWPZUFKSA-N
Formula
C22H26BrFO4
Mass
453.348
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
Oxepanes Alpha-hydroxy ketones Alpha-haloketones Cyclic ketones Oxacyclic compounds Epoxides Dialkyl ethers Primary alcohols Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
11-noriridane monoterpenoid - Oxepane - Alpha-haloketone - Alpha-hydroxy ketone - Ketone - Cyclic ketone - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Aldehyde - Organobromide - Organohalogen compound - Alcohol - Organic oxide - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Alkyl bromide - Primary 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