Compound Identification
SMILES
[H][C@]1(CC[C@H](CC2=CC=C(Cl)C=C2)[C@@]1(O)CN1C=NC=N1)[C@H](C)CO
InChIKey
InChIKey=BNBJOIIGYIRGEL-WCZJQEMASA-N
Formula
C18H24ClN3O2
Mass
349.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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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 Chlorobenzenes Cyclopentanols Tertiary alcohols Heteroaromatic compounds Azoles Cyclic alcohols and derivatives Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Formamidines Chloroalkenes Azacyclic compounds Organopnictogen compounds Organochlorides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic monoterpenoid - 11-noriridane monoterpenoid - Aromatic monoterpenoid - Halobenzene - Chlorobenzene - Benzenoid - Cyclopentanol - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - Azole - Formamidine - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Alcohol - Aromatic heteromonocyclic 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