Chanoclavine-ii
-
Formula: C16H20N2O
-
Molecular weight: 256.34
-
Smiles: CC(=CC1C(CC2=CNC3=CC=CC1=C23)NC)CO
Chanoclavine-ii
Names
-
Mycotoxin name: Chanoclavine-ii
-
First synonym: Chanoclavine ii
-
Synonyms: Chanoclavine II,UNII-3ZLN2ZRI6Q,3ZLN2ZRI6Q,1466-08-6,(E)-2-methyl-3-[(4R,5S)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol,(E)-2-Methyl-3-[1,3,4,5-tetrahydro-4beta-(methylamino)benzo[cd]indole-5beta-yl]-2-propene-1-ol,2-Propen-1-o1, 2-methyl-3-(1,3,4,5-tetrahydro-4-(methylamino)benz(cd)indol-5-yl)-, (4R-(4alpha,5alpha(E)))-,Q15410882
Identifiers / External links
-
CAS: 1466-08-6
-
PubChem CID: 15559894
-
ChemSpiderID: 32702224
-
US FDA (UNII): UNII-3ZLN2ZRI6Q
-
Wikidata (wiki): Q15410882
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:200025
-
CompTox Chemicals Dashboard (DTXSID): DTXSID10932863
Structure
-
Smiles: CC(=CC1C(CC2=CNC3=CC=CC1=C23)NC)CO
-
Isomeric smiles: C/C(=C\[C@@H]1[C@@H](CC2=CNC3=CC=CC1=C23)NC)/CO
-
Inchi: InChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/b10-6+/t13-,15+/m0/s1
-
Inchikey: SAHHMCVYMGARBT-GJTNBUKJSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C16H20N2O
-
Molecular weight: 256.34
-
Monoisotopic mass: 256.157563266
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 367 Claviceps purpurea