Compound Identification
SMILES
COCCOC(=O)C1=C(C)N=C2SC(=CC3=C(OC)C=CC(Br)=C3)C(=O)N2C1C1=CC=C(C=C1)C(C)C
InChIKey
InChIKey=KUUHTFDAPAXZAX-UHFFFAOYSA-N
Formula
C28H29BrN2O5S
Mass
585.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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 Anisoles Methoxybenzenes Bromobenzenes Alkyl aryl ethers Aryl bromides Thiazoles Enoate esters Heteroaromatic compounds Lactams Isothioureas Azacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Cumene - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Azole - Heteroaromatic compound - Lactam - Isothiourea - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Dialkyl ether - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organobromide - Carbonyl group - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen 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