Compound Identification
SMILES
OC1=C2O[C@H]3[C@@H](CC[C@@]4(O)C5CC(C=C1)=C2C34CCN5CC1CC1)OCC1=CC=CC=C1N=C=S
InChIKey
InChIKey=ASQKMNDCAVTNOQ-OWGJQLEISA-N
Formula
C28H30N2O4S
Mass
490.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenanthrenes and derivatives
Alternative Parents
Tetralins Benzylethers Coumarans 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Piperidines Tertiary alcohols Trialkylamines 1,2-aminoalcohols Isothiocyanates Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenanthrene - Tetralin - Coumaran - Benzylether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Piperidine - Cyclic alcohol - Tertiary alcohol - 1,2-aminoalcohol - Isothiocyanate - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
External Descriptors
Not available