Compound Identification
SMILES
CC(=O)OC1=C2O[C@H]3[C@H](I)CCC4(O)C5CC(C=C1)=C2C34CCN5CC1CC1
InChIKey
InChIKey=OHACMSSADFYCBE-WRLXYELNSA-N
Formula
C22H26INO4
Mass
495.357
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 Coumarans Alkyl aryl ethers Aralkylamines Piperidines Tertiary alcohols Trialkylamines 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Cyclic alcohols and derivatives Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organoiodides Carbonyl compounds Alkyl iodides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenanthrene - Tetralin - Coumaran - Alkyl aryl ether - Aralkylamine - Piperidine - Cyclic alcohol - Tertiary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Ether - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Alkyl iodide - Alkyl halide - Organic oxygen compound - Alcohol - 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