Compound Identification
SMILES
COC1CCC23C(CN(CC4=CC5=C(OCO5)C=C24)C3C1)N=NC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=CJFLLHIISDOKRS-UHFFFAOYSA-N
Formula
C23H23N5O7
Mass
481.465
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Amaryllidaceae alkaloids
Subclass
Crinine- and Haemanthamine-type amaryllidaceae alkaloids
Intermediate Tree Nodes
Not available
Direct Parent
Crinine- and Haemanthamine-type amaryllidaceae alkaloids
Alternative Parents
Phenanthridines and derivatives Benzazepines Tetrahydroisoquinolines Benzodioxoles Indoles and derivatives Nitrobenzenes Nitroaromatic compounds Azepines Aralkylamines N-alkylpyrrolidines Trialkylamines Azo compounds Organic oxoazanium compounds Acetals Oxacyclic compounds Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hemanthamine/crinine alkaloid skeleton - Benzoquinoline - Phenanthridine - Benzazepine - Quinoline - Tetrahydroisoquinoline - Benzodioxole - Indole or derivatives - Nitrobenzene - Nitroaromatic compound - Azepine - Aralkylamine - Monocyclic benzene moiety - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - C-nitro compound - Azo compound - Tertiary amine - Organic nitro compound - Tertiary aliphatic amine - Dialkyl ether - Azacycle - Organic 1,3-dipolar compound - Oxacycle - Ether - Organic oxoazanium - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Acetal - Allyl-type 1,3-dipolar organic compound - Amine - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as crinine- and haemanthamine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids compounds with a structure based on the crinine or haemanthamine backbone. Both backbones have a common 5,10b-ethano bridge moiety in their frameworks, which is a very significant taxonomic feature, and the configurations of the 5,10b-ethano bridge are opposite to each other.
External Descriptors
Not available