Compound Identification
SMILES
COC1=C(O)C=C(C=C1)C1C2=CCC3C(C2CC2C(=O)N(C(=O)C12C1=CC=CC=C1)C1=CC(Cl)=CC=C1)C(=O)N(C(N)=O)C3=O
InChIKey
InChIKey=CLWZIDORTZJYLF-UHFFFAOYSA-N
Formula
C34H28ClN3O7
Mass
626.06
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
Sesquiterpenoids
- Level 5 Elemane sesquiterpenoids
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Subclass
Sesquiterpenoids
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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
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Elemane sesquiterpenoids
Alternative Parents
Stilbenes Naphthalenecarboxamides Cyclohexylphenols Phenylpyrrolidines Methoxyphenols Isoindolones Pyrrolidinecarboxamides Phenoxy compounds Methoxybenzenes Anisoles N-acyl ureas Chlorobenzenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyrrolidine-2-ones N-substituted carboxylic acid imides N-acyl amines Pyrroles Dicarboximides Vinyl chlorides Chloroalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Elemane sesquiterpenoid - Stilbene - 2-naphthalenecarboxamide - Cyclohexylphenol - 3-phenylpyrrolidine - 1-phenylpyrrolidine - Methoxyphenol - Isoindolone - Isoindole or derivatives - Isoindoline - Phenoxy compound - Methoxybenzene - Pyrrolidine-1-carboxamide - Pyrrolidine carboxylic acid or derivatives - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Ureide - Phenol - N-acyl urea - Halobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - N-acyl-amine - Monocyclic benzene moiety - Pyrrolidine - Pyrrole - Dicarboximide - Carboxylic acid imide - Carbonic acid derivative - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as elemane sesquiterpenoids. These are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively.
External Descriptors
Not available