Compound Identification
SMILES
CC(=O)NC1=CC=C(O)C=C1.CC(C)CC1=CC=C(C=C1)C(C)C(O)=O.CCOC1=NSN=C1OC1CN2CCC1CC2.CN1CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@@H]2C=C[C@@H]4O)=C35
InChIKey
InChIKey=JCBOWMXBOJJGEG-JGHDFLKSSA-N
Formula
C49H63N5O9S
Mass
898.13
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 Phenylpropanoic acids Acetanilides Tetralins Aromatic monoterpenoids Phenylpropanes Coumarans N-acetylarylamines Quinuclidines 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Piperidines Heteroaromatic compounds Thiadiazoles Acetamides Trialkylamines Secondary alcohols Secondary carboxylic acid amides Monocarboxylic acids and derivatives Oxacyclic compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
Morphinan - Phenanthrene - 2-phenylpropanoic-acid - Tetralin - Acetanilide - Monoterpenoid - Aromatic monoterpenoid - P-cymene - Anilide - Coumaran - Phenylpropane - N-acetylarylamine - Quinuclidine - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Piperidine - Thiadiazole - Acetamide - Azole - Heteroaromatic compound - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Carbonyl group - Alcohol - Organic nitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - 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