Compound Identification
SMILES
COC1C[C@H]2N3CC[C@]2(C=C1)C1=CC2=C(OCO2)C=C1C3
InChIKey
InChIKey=HATSAIPBKRRCME-RIJFORKLSA-N
Formula
C17H19NO3
Mass
285.343
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 Aralkylamines Azepines N-alkylpyrrolidines Benzenoids Trialkylamines Acetals Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hemanthamine/crinine alkaloid skeleton - Benzoquinoline - Phenanthridine - Benzazepine - Quinoline - Tetrahydroisoquinoline - Benzodioxole - Indole or derivatives - Azepine - Aralkylamine - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Acetal - Dialkyl ether - Ether - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - 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