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.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=NRPDJRVUDJDWED-SWLXQBBLSA-L
Formula
C28H22CaN2O18P2
Mass
776.506
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 Lactams Secondary alcohols Secondary carboxylic acid amides Organic calcium salts Azacyclic compounds Acetals Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
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 - 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 oxide - Alcohol - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - 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