Compound Identification
SMILES
COC1=C(OC)C2=C(CC(=O)C3=CC4=C(OCO4)C=C3CCN(C)C2)C=C1.COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C
InChIKey
InChIKey=KYMQQBVHGSKTOF-UHFFFAOYSA-N
Formula
C42H49N3O12
Mass
787.863
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Protopine alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Protopine alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Protopine alkaloids
Alternative Parents
Benzodioxoles Nitrobenzenes Dihydropyridinecarboxylic acids and derivatives Anisoles Aryl alkyl ketones Nitroaromatic compounds Alkyl aryl ethers Aralkylamines Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Trialkylamines Amino acids and derivatives Acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Dialkyl ethers Enamines Dialkylamines Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Not available
Substituents
Protopine skeleton - Nitrobenzene - Benzodioxole - Dihydropyridinecarboxylic acid derivative - Nitroaromatic compound - Anisole - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Dihydropyridine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Hydropyridine - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Vinylogous amide - Tertiary aliphatic amine - Ketone - C-nitro compound - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Organic nitro compound - Acetal - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Enamine - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organopnictogen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aldehyde - Organic nitrogen compound - Organic zwitterion - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as protopine alkaloids. These are alkaloids with a structure based on a tricyclic protopine formed by oxidative ring fission of protoberberine N-metho salts.
External Descriptors
Not available