Compound Identification
SMILES
COC1=C(OC)C=C2C3=CC=CC=C3C3=C(CC4CCCN4C3)C2=C1
InChIKey
InChIKey=MDMIGAZBGNORSH-UHFFFAOYSA-N
Formula
C22H23NO2
Mass
333.431
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenanthrenes and derivatives
- Subclass Phenanthroindolizidines
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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
Tetrahydroisoquinolines Naphthalenes Indolizidines Anisoles Aralkylamines Alkyl aryl ethers N-alkylpyrrolidines Trialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenanthroindolizidine - Naphthalene - Tetrahydroisoquinoline - Indolizidine - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - 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