Compound Identification
SMILES
CO[C@@H]1C[C@H]2N3CC(OC(C)=O)[C@]2([C@H]2O[C@@H]12)C1=CC2=C(OCO2)C(OC)=C1C3
InChIKey
InChIKey=HUKHZLUIPVCSIS-IMDCJPKLSA-N
Formula
C20H23NO7
Mass
389.404
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 Quinolidines Indoles and derivatives Benzodioxoles Anisoles Oxepanes Azepines Azepanes Aralkylamines Alkyl aryl ethers Piperidines N-alkylpyrrolidines 1,3-dioxoles Trialkylamines Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hemanthamine/crinine alkaloid skeleton - Phenanthridine - Benzoquinoline - Benzazepine - Quinolidine - Tetrahydroisoquinoline - Quinoline - Indole or derivatives - Benzodioxole - Anisole - Aralkylamine - Oxepane - Azepine - Azepane - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Meta-dioxole - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - 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