Compound Identification
SMILES
CC(C)C1=C(OCCOC2=CC=C(C=C3C(=N)N4N=C(SC4=NC3=O)C3=CC=CC=C3Cl)C=C2)C=C(C)C=C1
InChIKey
InChIKey=TXJIWBGHSCFSBP-UHFFFAOYSA-N
Formula
C30H27ClN4O3S
Mass
559.08
Taxonomic Classification
Taxonomy Tree
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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 Bicyclic monoterpenoids
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Subclass
Monoterpenoids
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Class
Prenol lipids
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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
Aromatic monoterpenoids Phenylpropanes Cumenes Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Pyrimidones Chlorobenzenes Aryl chlorides Hydropyrimidines Imidolactams Thiadiazolines N-acylimines Carboxylic acids and derivatives Azacyclic compounds Amidines Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bicyclic monoterpenoid - P-cymene - Aromatic monoterpenoid - Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Chlorobenzene - Alkyl aryl ether - Halobenzene - Pyrimidone - Toluene - Imidolactam - Benzenoid - Pyrimidine - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Thiadiazoline - N-acylimine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amidine - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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