Compound Identification
SMILES
CC(=C)[C@]12C[C@@H]3[C@@]1(COC(=O)C1=CC=CC=C1)[C@@H]1O[C@@]2(C)C[C@]3(O1)C#N
InChIKey
InChIKey=OXWZODIBYLPVDP-ZMDWJTHYSA-N
Formula
C21H21NO4
Mass
351.402
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Monoterpenoids
- Level 5 Bicyclic monoterpenoids
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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
Bicyclic monoterpenoids
Alternative Parents
Benzoic acid esters Aromatic monoterpenoids Furofurans Benzoyl derivatives Oxepanes 1,3-dioxanes Oxolanes Carboxylic acid esters Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aromatic monoterpenoid - Benzoate ester - Pinane monoterpenoid - Benzoic acid or derivatives - Benzoyl - Furofuran - Oxepane - Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Oxolane - Carboxylic acid ester - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Cyanide - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
External Descriptors
Not available