Compound Identification
SMILES
C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O.CC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1
InChIKey
InChIKey=YZKXSNLPAHKIHP-QJQQHHODSA-N
Formula
C46H56Cl2N4O6
Mass
831.88
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 Phenylpiperazines N-arylpiperazines Aminophenyl ethers Aniline and substituted anilines Phenoxy compounds Dialkylarylamines Dichlorobenzenes Medium-chain fatty acids Ketals Alkyl aryl ethers Methyl-branched fatty acids Aryl chlorides Unsaturated fatty acids N-substituted imidazoles Heteroaromatic compounds Acetamides 1,3-dioxolanes Tertiary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Not available
Substituents
Retinoic acid - Retinoid skeleton - Diterpenoid - N-arylpiperazine - Phenylpiperazine - Aminophenyl ether - Medium-chain fatty acid - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenoxy compound - Aniline or substituted anilines - Phenol ether - 1,3-dichlorobenzene - Methyl-branched fatty acid - Chlorobenzene - Alkyl aryl ether - Halobenzene - Ketal - Branched fatty acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - N-substituted imidazole - Piperazine - Fatty acyl - Fatty acid - Unsaturated fatty acid - Benzenoid - Azole - Tertiary carboxylic acid amide - Meta-dioxolane - Acetamide - Heteroaromatic compound - Imidazole - Tertiary amine - Amino acid or derivatives - Carboxamide group - Monocarboxylic acid or derivatives - Acetal - Ether - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Amine - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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