Compound Identification
SMILES
CCC(C)(C)C1=CC=C(OC2=CC3=C(C=C2)C2=NC=CC4=CC(OC)=C(OC)C(C3=O)=C24)C=C1
InChIKey
InChIKey=YTRJZEFOTHDPTC-UHFFFAOYSA-N
Formula
C29H27NO4
Mass
453.538
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Isoaporphines
- Subclass Oxoisoaporphines
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Class
Isoaporphines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Isoaporphines
Subclass
Oxoisoaporphines
Intermediate Tree Nodes
Not available
Direct Parent
Oxoisoaporphines
Alternative Parents
Anthracenes Diarylethers Isoquinolines and derivatives Phenylpropanes Phenoxy compounds Aryl ketones Anisoles Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-oxoisoaporphine - Anthracene - Diaryl ether - Isoquinoline - Phenylpropane - Phenoxy compound - Anisole - Aryl ketone - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Ketone - Azacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxoisoaporphines. These are alkaloids with a structure that contains the isoaporphine skeleton with an oxo group at the 7-position.
External Descriptors
Not available