Compound Identification
SMILES
COc1c2OCOc2cc2CN3CC[C@@]4(C5C[C@@](CC34)(OC)O5)c12
InChIKey
InChIKey=BUQHVHTYYNZCSM-DJQNDVTLSA-N
Formula
C18H21NO5
Mass
331.368
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
Aminoglycosides Phenanthridines and derivatives Benzazepines Tetrahydroisoquinolines Indoles and derivatives Benzodioxoles Anisoles Ketals Azepines Aralkylamines Alkyl aryl ethers Oxanes N-alkylpyrrolidines Trialkylamines Oxetanes Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hemanthamine/crinine alkaloid skeleton - Aminoglycoside core - Phenanthridine - Benzoquinoline - Benzazepine - Tetrahydroisoquinoline - Quinoline - Indole or derivatives - Benzodioxole - Anisole - Ketal - Aralkylamine - Azepine - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Oxane - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Oxetane - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - 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