Compound Identification
SMILES
CCCCC(=O)OC1=CC2=C(C=C1)C1=C(CN3CCC[C@H]3C1)C1=CC(OC)=C(OC)C=C21
InChIKey
InChIKey=MDBUQGQXMSFOAA-KRWDZBQOSA-N
Formula
C27H31NO4
Mass
433.548
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 Phenol esters Naphthalenes Indolizidines Anisoles Alkyl aryl ethers Fatty acid esters Aralkylamines N-alkylpyrrolidines Trialkylamines Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenanthroindolizidine - Naphthalene - Phenol ester - Tetrahydroisoquinoline - Indolizidine - Anisole - Phenol ether - Alkyl aryl ether - Fatty acid ester - Aralkylamine - Fatty acyl - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Ether - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen 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