Compound Identification
SMILES
C[C@]12CC3=C(C=C1CCC1[C@@H](CNC4=CC=C(OC(F)F)C=C4)[C@@H](CC=C21)C(F)(F)F)N(N=C3)C1=CC=C(F)C=C1
InChIKey
InChIKey=JGIIXHYAWHZRPE-XMAXTTRSSA-N
Formula
C31H29F6N3O
Mass
573.583
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
Phenylpyrazoles Phenylalkylamines Phenoxy compounds Phenol ethers Aniline and substituted anilines Secondary alkylarylamines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Steroid - Phenylpyrazole - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Organoheterocyclic compound - Secondary amine - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Amine - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen 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