Compound Identification
SMILES
CCN[C@H]1CO[C@H](C[C@@H]1OC)O[C@H]1[C@H](O[C@H]2C#C\C=C/C#C[C@]3(O)CC(=O)C(NC(=O)OC)=C2C3=CCSSSC)O[C@H](C)[C@](SC)([C@@H]1O)C(=O)C1=NC=CC2=C1NC1=C2C=C(O)C=C1
InChIKey
InChIKey=MFKZOPIAQKMURV-RWYBOJFESA-N
Formula
C45H50N4O12S4
Mass
967.15
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Harmala alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Harmala alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Harmala alkaloids
Alternative Parents
Beta carbolines Hydroxyindoles Indoles Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Cyclohexenones Ynones Pyridines and derivatives Oxanes Monosaccharides Vinylogous amides Tertiary alcohols Heteroaromatic compounds Pyrroles Methylcarbamates Organic trisulfides Secondary alcohols Dialkylthioethers Dialkylamines Dialkyl ethers Acetals Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Aldehydes Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - Hydroxyindole - Indole - Indole or derivatives - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Ynone - Benzenoid - Pyridine - Oxane - Monosaccharide - Heteroaromatic compound - Tertiary alcohol - Methylcarbamate - Pyrrole - Vinylogous amide - Carbamic acid ester - Organic trisulfide - Ketone - Cyclic ketone - Secondary alcohol - Acetal - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Secondary amine - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Alcohol - Aldehyde - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole.
External Descriptors
Not available