Compound Identification
SMILES
COC1=C(OC)C(OC)=C2C(CC[C@@H]3N(C)CC(=O)C4=CC(OC)=C(OC(=O)OC5=CC=CC=C5)C2=C34)=C1
InChIKey
InChIKey=AOXASCBLUVRHLT-IBGZPJMESA-N
Formula
C29H29NO8
Mass
519.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Homoaporphines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Homoaporphines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Homoaporphines
Alternative Parents
Isoquinolones and derivatives Tetrahydroisoquinolines Phenoxy compounds Aryl alkyl ketones Anisoles Aralkylamines Alkyl aryl ethers Carbonic acid diesters Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Homoaporphine - Isoquinolone - Tetrahydroisoquinoline - Phenol ether - Aryl ketone - Aryl alkyl ketone - Phenoxy compound - Anisole - Aralkylamine - Alkyl aryl ether - Benzenoid - Carbonic acid diester - Monocyclic benzene moiety - Carbonic acid derivative - Ketone - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as homoaporphines. These are alkaloids derived from phenethylisoquinoline precursors by direct intramolecular oxidative coupling. They incorporate a nucleus A and are always pentaoxygenated at C- 1, -2, - 10, - 11, and - 12. The nitrogen function in ring B is usually N-methylated, but it may also be secondary.
External Descriptors
Not available