Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(=C4)C(O)=O)[C@@H]1CC[C@@H]2OCC1=CC=CC=C1
InChIKey
InChIKey=XLLABODSNQLYRK-XRKIENNPSA-N
Formula
C26H30O3
Mass
390.523
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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Subclass
Steroid acids
- Level 5 3-carboxy steroids
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Subclass
Steroid acids
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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
Steroid acids
Intermediate Tree Nodes
Not available
Direct Parent
3-carboxy steroids
Alternative Parents
Estrane steroids Phenanthrenes and derivatives Naphthalenecarboxylic acids Tetralins Benzylethers Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
3-carboxy steroid - Estrane-skeleton - Phenanthrene - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Tetralin - Benzylether - Monocyclic benzene moiety - Benzenoid - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-carboxy steroids. These are steroid compounds that carry a carboxyl group at the C3-atom of the steroid backbone.
External Descriptors
Not available