Compound Identification
SMILES
COCCNC(=O)C(C)C1CCC2(C)CC3=C(N=C(COC4=CC(Cl)=CC=C4)S3)C(C)C2C1O
InChIKey
InChIKey=MCWBPTVVJBQHPI-UHFFFAOYSA-N
Formula
C26H35ClN2O4S
Mass
507.09
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Sesquiterpenoids
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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
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Sesquiterpenoids
Alternative Parents
Naphthothiazoles Phenol ethers Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thiazoles Heteroaromatic compounds Cyclic alcohols and derivatives Secondary carboxylic acid amides Secondary alcohols Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Sesquiterpenoid - Naphthothiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Cyclic alcohol - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
External Descriptors
Not available