Loline
-
Formula: C8H14N2O
-
Molecular weight: 154.21
-
Smiles: CNC1C2CN3C1C(O2)CC3
-
Type: Alkaloid
Loline
Names
-
Mycotoxin name: Loline
-
First synonym: Loline
-
Synonyms: Loline,Festucine,25161-91-5,UNII-IC997T2WZ9,IC997T2WZ9,(1S,6R,7R,7aS)-N-Methylhexahydro-1H-1,6-epoxypyrrolizin-7-amine,lolina,Loline (6CI,8CI),SCHEMBL395725,CHEBI:156448,AKOS006278760,(2R,3R,3aS,4S,6aS)-Hexahydro-N-methyl-2,4-methano-4H-furo[3,2-b]pyrrol-3-amine,XL175852,Q27280662,(1R,3S,7S,8R)-N-methyl-2-oxa-6-azatricyclo[4.2.1.0,3,7]nonan-8-amine,(1R,3S,7S,8R)-N-methyl-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-amine,2,4-Methano-4H-furo(3,2-b)pyrrole, hexahydro-3-(methylamino)- (7CI),2,4-Methano-4H-furo(3,2-b)pyrrol-3-amine, hexahydro-N-methyl-, (2R,3R,3aS,4S,6aS)-,2,4-Methano-4H-furo(3,2-b)pyrrol-3-amine, hexahydro-N-methyl-, (2R-(2-alpha,3-alpha,3a-beta,4-alpha,6a-beta))-
Identifiers / External links
-
CAS: 25161-91-5
-
PubChem CID: 716098
-
ChemSpiderID: 97039
-
ChEMBL: CHEMBL395725
-
US FDA (UNII): UNII-IC997T2WZ9
-
Wikidata (wiki): Q27280662
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:156448
-
SCHEMBL: SCHEMBL395725
Structure
-
Smiles: CNC1C2CN3C1C(O2)CC3
-
Isomeric smiles: CN[C@H]1[C@H]2CN3[C@@H]1[C@@H](O2)CC3
-
Inchi: InChI=1S/C8H14N2O/c1-9-7-6-4-10-3-2-5(11-6)8(7)10/h5-9H,2-4H2,1H3/t5-,6+,7-,8+/m0/s1
-
Inchikey: OPMNROCQHKJDAQ-FKSUSPILSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C8H14N2O
-
Molecular weight: 154.21
-
Monoisotopic mass: 154.110613074
Select an endpoint:
Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
---|
Select an endpoint:
Category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
---|
Select an endpoint:
Category | Sub category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
---|
Select an endpoint:
Endpoint | Tool | Value | Unit | Comments | Reference |
---|
Fungi
-
Fungi id Species 1 Acremonium coenophialum