Compound Identification
SMILES
C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O.BrC1=CC=CC(NC2=NC=NC3=CC(OCCCN4CCOCC4)=C(NC(=O)C=C)C=C23)=C1
InChIKey
InChIKey=AXLVYWLYEPNBCW-IGHKGZHESA-N
Formula
C44H54BrN5O5
Mass
812.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Retinoids
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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
Retinoids
Intermediate Tree Nodes
Not available
Direct Parent
Retinoids
Alternative Parents
Diterpenoids Quinazolinamines Aniline and substituted anilines Phenol ethers Medium-chain fatty acids N-arylamides Alkyl aryl ethers Aminopyrimidines and derivatives Bromobenzenes Methyl-branched fatty acids Unsaturated fatty acids Aryl bromides Imidolactams Morpholines Heteroaromatic compounds Acrylic acids and derivatives Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Dialkyl ethers Carboxylic acids Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organobromides Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
Retinoic acid - Diterpenoid - Retinoid skeleton - Quinazolinamine - Diazanaphthalene - Quinazoline - Phenol ether - Aniline or substituted anilines - Medium-chain fatty acid - N-arylamide - Alkyl aryl ether - Aminopyrimidine - Branched fatty acid - Bromobenzene - Halobenzene - Methyl-branched fatty acid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyrimidine - Fatty acyl - Fatty acid - Unsaturated fatty acid - Imidolactam - Benzenoid - Acrylic acid or derivatives - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Amine - Organohalogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as retinoids. These are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof.
External Descriptors
Not available