Compound Identification
SMILES
COCC1=C2C(C3=CC(OC)=C(OC(C)=O)C=C3)C(C#N)=C(N)OC2=NN1
InChIKey
InChIKey=JFGAQHRFKXWJPH-UHFFFAOYSA-N
Formula
C18H18N4O5
Mass
370.365
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Phenol esters Bicyclic monoterpenoids Aromatic monoterpenoids Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyrazoles Heteroaromatic compounds Enol esters Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Hydrazones Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Secoiridoid-skeleton - Phenol ester - Bicyclic monoterpenoid - Aromatic monoterpenoid - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Enol ester - Azole - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Hydrazone - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aromatic 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