Compound Identification
SMILES
COC1OC2C(N(C)CCC3=CC(O)=C(OC)C=C23)C2=C1C(OC)=C(OC)C=C2
InChIKey
InChIKey=PJIVTKMWLVHTAX-UHFFFAOYSA-N
Formula
C22H27NO6
Mass
401.459
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Rhoeadine alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Rhoeadine alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Rhoeadine alkaloids
Alternative Parents
Benzazepines 2-benzopyrans Anisoles Azepines Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Trialkylamines Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Rhoeadine-skeleton - Benzazepine - Benzopyran - Isochromane - 2-benzopyran - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Azepine - Aralkylamine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Ether - Azacycle - Oxacycle - Acetal - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as rhoeadine alkaloids. These are alkaloids with a structure based on rhoeadine. They usually contain a benzazepine system fused with a six-membered hemiacetal or acetal.
External Descriptors
Not available