Communesin k
-
Formula: C26H30N4
-
Molecular weight: 398.50
-
Smiles: CC(=CC1C2=C3C(=CC=C2)N(C4C35CCN1C6C5(CCN6)C7=CC=CC=C7N4)C)C
Communesin k
Names
-
Mycotoxin name: Communesin k
-
First synonym: Communesin k
-
Synonyms: Communesin K,SCHEMBL19609062,(5aR,12R,14R)-6-Methyl-10bbeta,13-ethylene-11,12-(ethyleneimino)-14-(2-methyl-1-propenyl)-10,11alpha-(methaniminomethano)-5,5abeta,6,10b-tetrahydro-11H-indolo[2,3-b]quinoline
Identifiers / External links
-
PubChem CID: 102308206
-
ChemSpiderID: 58197329
-
ChEMBL: CHEMBL19609062
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:212708
-
SCHEMBL: SCHEMBL19609062
Structure
-
Smiles: CC(=CC1C2=C3C(=CC=C2)N(C4C35CCN1C6C5(CCN6)C7=CC=CC=C7N4)C)C
-
Isomeric smiles: CC(=C[C@@H]1C2=C3C(=CC=C2)N([C@@H]4[C@]35CCN1[C@@H]6[C@]5(CCN6)C7=CC=CC=C7N4)C)C
-
Inchi: InChI=1S/C26H30N4/c1-16(2)15-21-17-7-6-10-20-22(17)26-12-14-30(21)23-25(26,11-13-27-23)18-8-4-5-9-19(18)28-24(26)29(20)3/h4-10,15,21,23-24,27-28H,11-14H2,1-3H3/t21-,23-,24-,25+,26+/m1/s1
-
Inchikey: GEEJHYAUAXKQLB-YQVWZVKMSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C26H30N4
-
Molecular weight: 398.50
-
Monoisotopic mass: 398.24704697
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 801 Penicillium expansum