Compound Identification
SMILES
COC1=C(OC)C2=C(CC3C4=CC5=C(OCO5)C=C4CC[N+]3([O-])C2)C=C1
InChIKey
InChIKey=FCFHJJYTYOPPEM-UHFFFAOYSA-N
Formula
C20H21NO5
Mass
355.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Protoberberine alkaloids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Protoberberine alkaloids and derivatives
Alternative Parents
Tetrahydroisoquinolines Benzodioxoles Anisoles Alkyl aryl ethers Trialkyl amine oxides Trisubstituted amine oxides and derivatives Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Protoberberine skeleton - Tetrahydroprotoberberine skeleton - Tetrahydroisoquinoline - Benzodioxole - Anisole - Alkyl aryl ether - Benzenoid - Trialkyl amine oxide - Acetal - N-oxide - Ether - Oxacycle - Trisubstituted n-oxide - Azacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organopnictogen compound - Organic salt - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as protoberberine alkaloids and derivatives. These are alkaloids with a structure based on a protoberberine moiety, which consists of a 5,6-dihydrodibenzene moiety fused to a quinolizinium and forming 5,6-Dihydrodibenzo(a,g)quinolizinium skeleton.
External Descriptors
Not available