Compound Identification
SMILES
COC1=CC2=C(C=C1)C=CC1=C2CC[C@@H]([C@@H]1CC(O)=O)C(O)=O
InChIKey
InChIKey=TXKQSMYGJLDMBI-GOEBONIOSA-N
Formula
C18H18O5
Mass
314.337
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Oxosteroids
- Level 5 16-oxosteroids
-
Subclass
Oxosteroids
-
Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Oxosteroids
Intermediate Tree Nodes
Not available
Direct Parent
16-oxosteroids
Alternative Parents
17-oxosteroids 17-hydroxysteroids 16-hydroxysteroids Hydrophenanthrenes Naphthalenecarboxylic acids Tetralins Anisoles Alkyl aryl ethers Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Hydroxysteroid - 17-hydroxysteroid - 16-hydroxysteroid - 16-oxosteroid - 17-oxosteroid - Hydrophenanthrene - Phenanthrene - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Naphthalene - Tetralin - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Dicarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 16-oxosteroids. These are steroid derivatives carrying a C=O group at the 16-position of the steroid skeleton.
External Descriptors
Not available