Compound Identification
SMILES
COC(=O)C(OC(C)=O)C=C1C2CC3=C(C(O)=C(OC)C=C3)C1(CCN2C)C=O
InChIKey
InChIKey=SINNBDWRFHRZFC-UHFFFAOYSA-N
Formula
C21H25NO7
Mass
403.431
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class 6,7-benzomorphans
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
6,7-benzomorphans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
6,7-benzomorphans
Alternative Parents
Benzazocines Tetralins Anisoles 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Fatty acid esters Piperidines Dicarboxylic acids and derivatives Methyl esters Amino acids and derivatives Trialkylamines Azacyclic compounds Organic oxides Organopnictogen compounds Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6,7-benzomorphan - Benzazocine - Tetralin - Anisole - Alkyl aryl ether - Fatty acid ester - Aralkylamine - 1-hydroxy-4-unsubstituted benzenoid - Dicarboxylic acid or derivatives - Piperidine - Benzenoid - Fatty acyl - Methyl ester - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Amine - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 6,7-benzomorphans. These are opioid alkaloids based on the tricyclic 6,7-benzomorphan skeleton. Benzomorphans are derived from morpholine, but lack its C ring.
External Descriptors
Not available