Compound Identification
SMILES
[Ca++].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=IFEWZUOYWOTQCN-WAJBGZTRSA-M
Formula
C14H11CaNO9P
Mass
408.291
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 Organic phosphoric acids and derivatives Vinylogous acids Dioxaphospholanes Secondary carboxylic acid amides Secondary alcohols Lactams Oxacyclic compounds Acetals Azacyclic compounds Organic calcium salts Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenanthridone-type amaryllidaceae alkaloid - Benzoquinoline - Phenanthridine - Isoquinolone - Quinoline - Tetrahydroisoquinoline - Benzodioxole - 1-hydroxy-4-unsubstituted benzenoid - Organic phosphoric acid derivative - Benzenoid - 1,3_dioxaphospholane - Vinylogous acid - Carboxamide group - Lactam - Secondary alcohol - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Oxacycle - Acetal - Carboxylic acid derivative - Organic calcium salt - Organic salt - Organic nitrogen compound - Organic oxide - Alcohol - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic cation - 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