Compound Identification
SMILES
COC1=CC2=C(C=C1)C1CCC3(C)C(C4OC4C3=NO)C1CC2
InChIKey
InChIKey=DTHUPFIGUMSUBM-UHFFFAOYSA-N
Formula
C19H23NO3
Mass
313.397
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Steroids and steroid derivatives
Alternative Parents
Phenanthrenes and derivatives Naphthopyrans Tetralins Naphthalenes Anisoles Alkyl aryl ethers Pyrans Oxanes Oximes Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Steroid - Naphthopyran - Phenanthrene - Naphthalene - Tetralin - Anisole - Phenol ether - Alkyl aryl ether - Oxane - Benzenoid - Pyran - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Oxime - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as steroids and steroid derivatives. These are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred.
External Descriptors
Not available