Compound Identification
SMILES
CC(C)C1=CC(C(C)C)=C(C(=C1)C(C)C)S(=O)(=O)N1C=C2C[C@H]3N(CCO[C@]3(C)C3=C2C1=CC=C3)C(=O)CN1CCN(CC2=CC=CC=C2)CC1
InChIKey
InChIKey=KIFAFNOCHCXPSS-HDIIBLALSA-N
Formula
C42H54N4O4S
Mass
710.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Oxaergolines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Oxaergolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxaergolines
Alternative Parents
3-alkylindoles Alpha amino acids and derivatives Benzenesulfonamides N-piperazineacetamides Benzenesulfonyl compounds Phenylpropanes Cumenes Isoindoles and derivatives Benzylamines Phenylmethylamines N-alkylpiperazines Aralkylamines Morpholines Substituted pyrroles Heteroaromatic compounds Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids and derivatives Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Oxaergoline skeleton - Alpha-amino acid or derivatives - Benzenesulfonamide - N-piperazineacetamide - 3-alkylindole - Cumene - Benzenesulfonyl group - Indole - Indole or derivatives - Isoindole or derivatives - Phenylpropane - Benzylamine - Phenylmethylamine - N-alkylpiperazine - Aralkylamine - Benzenoid - Substituted pyrrole - Piperazine - Monocyclic benzene moiety - 1,4-diazinane - Oxazinane - Morpholine - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Azacycle - Organosulfur compound - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxaergolines. These are alkaloids with a structure based on the oxaergoline skeleton, an analog of ergoline obtained by substituted one of the pyridine C atom by an oxygen atom.
External Descriptors
Not available