Compound Identification
SMILES
NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2.CN1C[C@H](CO)C[C@@]2(O)[C@H]1CC1=CNC3=CC=CC2=C13
InChIKey
InChIKey=RTALPYXMPWPJKY-GYPASOCYSA-N
Formula
C24H25F3N4O3S
Mass
506.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Ergoline and derivatives
- Subclass Clavines and derivatives
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Class
Ergoline and derivatives
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Ergoline and derivatives
Subclass
Clavines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Clavines and derivatives
Alternative Parents
Indoloquinolines Benzoquinolines Pyrroloquinolines 3-alkylindoles Benzothiazoles Isoindoles and derivatives Phenol ethers Aralkylamines 2-amino-1,3-thiazoles Piperidines Pyrroles Heteroaromatic compounds Tertiary alcohols 1,3-aminoalcohols Trialkylamines 1,2-aminoalcohols Trihalomethanes Azacyclic compounds Primary alcohols Organofluorides Primary amines Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Not available
Substituents
Clavine skeleton - Indoloquinoline - Benzoquinoline - Pyrroloquinoline - Quinoline - 3-alkylindole - 1,3-benzothiazole - Indole - Indole or derivatives - Isoindole or derivatives - Phenol ether - Aralkylamine - 1,3-thiazol-2-amine - Piperidine - Benzenoid - Tertiary alcohol - Thiazole - Azole - Pyrrole - Heteroaromatic compound - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Trihalomethane - 1,2-aminoalcohol - Organoheterocyclic compound - Azacycle - Primary alcohol - Organohalogen compound - Primary amine - Hydrocarbon derivative - Halomethane - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Amine - Alkyl halide - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as clavines and derivatives. These are hydroxy and dehydro derivatives of 6,8-dimethylergolenes and the corresponding ergolines.
External Descriptors
Not available