Compound Identification
SMILES
CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC.COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2
InChIKey
InChIKey=PPRNFAYQHGSBTL-UHFFFAOYSA-N
Formula
C40H48O10
Mass
688.814
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Retinoids
-
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
Phenylnaphthalenes Naphthalenecarboxylic acids Tricarboxylic acids and derivatives Phenoxy compounds Methoxybenzenes Anisoles Fatty acid esters Alkyl aryl ethers Tertiary alcohols Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Adapalene - Phenylnaphthalene - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Naphthalene - Tricarboxylic acid or derivatives - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Carboxylic acid ester - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Aromatic homopolycyclic 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