Compound Identification
SMILES
[H]OC1=C(OC([H])([H])[H])C(O[H])=C2C(O[H])=C3C(=O)C([H])([H])[C@@]4([H])C([H])([H])[C@@](O[H])(C([H])([H])C(=O)[C@@]4(O[H])C3=C(OC([H])([H])[H])C2=C1[H])[C@]1([H])N([H])C1([H])[H]
InChIKey
InChIKey=UYHQCZYRKRLVIT-BAJYYXQSSA-N
Formula
C22H23NO9
Mass
445.424
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
Naphthols and derivatives Tetralins Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Beta-hydroxy ketones Alpha-branched alpha,beta-unsaturated ketones Acyloins Vinylogous acids Tertiary alcohols Enones Alpha-hydroxy ketones Acryloyl compounds Cyclic alcohols and derivatives Polyols Dialkylamines Aziridines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenanthrene - 1-naphthol - 2-naphthol - Tetralin - Naphthalene - Aryl alkyl ketone - Aryl ketone - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Alpha-branched alpha,beta-unsaturated-ketone - Beta-hydroxy ketone - Acyloin - Vinylogous acid - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Cyclic alcohol - Alpha-hydroxy ketone - Acryloyl-group - Ketone - Azacycle - Organoheterocyclic compound - Secondary amine - Polyol - Ether - Secondary aliphatic amine - Aziridine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - 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