Compound Identification
SMILES
COC1=CC2=C(C=C1)C1=C(C[N+]3([O-])CCC[C@H]3[C@H]1O)C1=CC(OC)=C(O)C=C21
InChIKey
InChIKey=KYCJLNMNKCNMOB-FQCMXHLOSA-N
Formula
C22H23NO5
Mass
381.428
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenanthrenes and derivatives
- Subclass Phenanthroindolizidines
-
Class
Phenanthrenes and derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Phenanthroindolizidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenanthroindolizidines
Alternative Parents
Phenanthrols Naphthols and derivatives Tetrahydroisoquinolines Indolizidines Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers N-alkylpyrrolidines Trialkyl amine oxides Secondary alcohols Trisubstituted amine oxides and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenanthroindolizidine - Phenanthrol - 2-naphthol - Naphthalene - Tetrahydroisoquinoline - Indolizidine - Anisole - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - N-alkylpyrrolidine - Trialkyl amine oxide - Pyrrolidine - Secondary alcohol - Organoheterocyclic compound - Azacycle - Ether - N-oxide - Trisubstituted n-oxide - Organic nitrogen compound - Organic zwitterion - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenanthroindolizidines. These are aromatic polycyclic compounds containing the phenanthroindolizidine skeleton, which is structurally characterized by an indolizidine and a phenanthrene, where the indolizidine is fused to the second benzene ring of a phenanthrene.
External Descriptors
Not available