Compound Identification
SMILES
CCC(=O)OC1=C2O[C@H]3[C@@H](OS(O)(=O)=O)C=C[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5C
InChIKey
InChIKey=LWKYBVFQVUJKDT-ILIJTDRLSA-N
Formula
C20H23NO7S
Mass
421.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Morphinans
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Morphinans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Morphinans
Alternative Parents
Phenanthrenes and derivatives Tetralins Phenol esters Coumarans Alkyl aryl ethers Aralkylamines Sulfuric acid monoesters Piperidines Alkyl sulfates Trialkylamines Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Morphinan - Phenanthrene - Tetralin - Phenol ester - Coumaran - Alkyl aryl ether - Aralkylamine - Sulfuric acid monoester - Benzenoid - Sulfuric acid ester - Alkyl sulfate - Piperidine - Sulfate-ester - Organic sulfuric acid or derivatives - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.
External Descriptors
Not available