Compound Identification
SMILES
[Ca++].COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C([O-])=O)C12CC3CC(CC(C3)C1)C2.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=QBVHPQWILODGNI-UHFFFAOYSA-L
Formula
C56H54CaO6
Mass
863.12
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
Phenylnaphthalenes Naphthalenecarboxylic acids Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Carboxylic acid salts Organic calcium salts Carboxylic acids Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Adapalene - Phenylnaphthalene - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Naphthalene - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Carboxylic acid salt - Organic calcium salt - Ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic salt - Organic cation - 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