Compound Identification
SMILES
COC(=O)\C=C\C(=O)N[C@H]1CC[C@@]2(O)[C@H]3CC4=C5C(O[C@@H]1[C@@]25CCN3CC1CC1)=C(O)C=C4
InChIKey
InChIKey=PQKHESYTSKMWFP-BEEKOEITSA-N
Formula
C25H30N2O6
Mass
454.523
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 Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters Piperidines N-acyl amines Tertiary alcohols Methyl esters Enoate esters Trialkylamines Secondary carboxylic acid amides 1,2-aminoalcohols Amino acids and derivatives Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenanthrene - Tetralin - Coumaran - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Aralkylamine - N-acyl-amine - Piperidine - Fatty acyl - Cyclic alcohol - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Carbonyl group - Organic oxygen compound - Amine - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organonitrogen compound - Organooxygen compound - 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