Compound Identification
SMILES
C1=CN=CN=C1.O[C@H]1C=C2[C@@H](NC(=O)C3=C(O)C4=C(OCO4)C=C23)[C@@H]2OP(O)(=O)O[C@H]12
InChIKey
InChIKey=DXCKOFYISLJYMQ-WAJBGZTRSA-N
Formula
C18H16N3O9P
Mass
449.312
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Amaryllidaceae alkaloids
Subclass
Phenanthridine- and phenanthridone-type amaryllidaceae alkaloids
Intermediate Tree Nodes
Not available
Direct Parent
Phenanthridine- and phenanthridone-type amaryllidaceae alkaloids
Alternative Parents
Phenanthridines and derivatives Isoquinolones and derivatives Tetrahydroisoquinolines Benzodioxoles 1-hydroxy-4-unsubstituted benzenoids Pyrimidines and pyrimidine derivatives Organic phosphoric acids and derivatives Vinylogous acids Dioxaphospholanes Heteroaromatic compounds Lactams Secondary alcohols Secondary carboxylic acid amides Polyols Azacyclic compounds Acetals Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Not available
Substituents
Phenanthridone-type amaryllidaceae alkaloid - Benzoquinoline - Phenanthridine - Isoquinolone - Quinoline - Tetrahydroisoquinoline - Benzodioxole - 1-hydroxy-4-unsubstituted benzenoid - Organic phosphoric acid derivative - Benzenoid - Pyrimidine - Heteroaromatic compound - Vinylogous acid - 1,3_dioxaphospholane - Lactam - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Polyol - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenanthridine- and phenanthridone-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids compounds based on the phenanthridine or the phenanthridone skeleton. Phenanthridone-type alkaloids have the highest oxygenated C ring in all Amaryllidaceae alkaloids, and they always show an amide group in ring B. On the contrary, alkaloids of the phenanthridine type often show completely aromatic ring system, occasionally with a methylation quaternary nitrogen atom.
External Descriptors
Not available