Variecolorin e
-
Formula: C24H29N3O3
-
Molecular weight: 407.50
-
Smiles: CC1C(=O)NC(=CC2=C(NC3=C2C=C(C=C3)CC(=O)C(C)C)C(C)(C)C=C)C(=O)N1
-
Type: Isoechinulin-type Alkaloids V
Variecolorin e
Names
-
Mycotoxin name: Variecolorin e
-
First synonym: Variecolorin e
-
Synonyms: variecolorin E,CHEMBL400170
Identifiers / External links
-
CAS: 957780-71-1
-
PubChem CID: 23655737
-
ChEMBL: CHEMBL400170
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:203816
Structure
-
Smiles: CC1C(=O)NC(=CC2=C(NC3=C2C=C(C=C3)CC(=O)C(C)C)C(C)(C)C=C)C(=O)N1
-
Isomeric smiles: C[C@H]1C(=O)N/C(=C\C2=C(NC3=C2C=C(C=C3)CC(=O)C(C)C)C(C)(C)C=C)/C(=O)N1
-
Inchi: InChI=1S/C24H29N3O3/c1-7-24(5,6)21-17(12-19-23(30)25-14(4)22(29)27-19)16-10-15(8-9-18(16)26-21)11-20(28)13(2)3/h7-10,12-14,26H,1,11H2,2-6H3,(H,25,30)(H,27,29)/b19-12-/t14-/m0/s1
-
Inchikey: JYKCLUQGJQCYCI-YQNUULROSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C24H29N3O3
-
Molecular weight: 407.50
-
Monoisotopic mass: 407.2208918
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 284 Aspergillus variecolor