Compound Identification
SMILES
[H]C12OC1([H])C13CCN(CC4=CC5=C(OCO5)C=C14)C3([H])C[C@@]2([H])OC
InChIKey
InChIKey=QLRRUWXMMVXORS-CWJHNBGESA-N
Formula
C17H19NO4
Mass
301.342
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 Indoles and derivatives Benzodioxoles Oxepanes Aralkylamines Azepines N-alkylpyrrolidines Benzenoids Trialkylamines Acetals Oxacyclic compounds Dialkyl ethers Epoxides Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hemanthamine/crinine alkaloid skeleton - Benzoquinoline - Phenanthridine - Benzazepine - Tetrahydroisoquinoline - Quinoline - Benzodioxole - Indole or derivatives - Azepine - Oxepane - Aralkylamine - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Acetal - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - 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