Compound Identification
SMILES
OC[C@H]1O[C@@H](CC(=O)N[C@H]2CC[C@@]3(O)[C@H]4CC5=C6C(O[C@@H]2[C@@]36CCN4CC2CC2)=C(O)C=C5)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=WHVZIWQDQZCJNA-CKOLPEQWSA-N
Formula
C28H38N2O9
Mass
546.617
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
Hexoses C-glycosyl compounds Tetralins Coumarans 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Piperidines Oxanes Tertiary alcohols Trialkylamines Secondary carboxylic acid amides Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Cyclic alcohols and derivatives Polyols Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenanthrene - Hexose monosaccharide - C-glycosyl compound - Glycosyl compound - Tetralin - Coumaran - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monosaccharide - Oxane - Piperidine - Tertiary alcohol - Cyclic alcohol - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - 1,2-aminoalcohol - Oxacycle - Azacycle - Polyol - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Primary alcohol - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Alcohol - Amine - Hydrocarbon derivative - Organic nitrogen 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