Acremolide c
-
Formula: C25H44N2O6
-
Molecular weight: 468.60
-
Smiles: CCC(C)C1C(=O)N2CCCC2C(=O)OC(CC(C(C(=O)N1)C)O)C(C)CCCCC(C)O
Acremolide c
Names
-
Mycotoxin name: Acremolide c
-
First synonym: Acremolide c
-
Synonyms: ACREMOLIDE C,CHEMBL255677
Identifiers / External links
-
CAS: 1015236-24-4
-
PubChem CID: 44448134
-
ChemSpiderID: 27023310
-
ChEMBL: CHEMBL255677
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:204448
Structure
-
Smiles: CCC(C)C1C(=O)N2CCCC2C(=O)OC(CC(C(C(=O)N1)C)O)C(C)CCCCC(C)O
-
Isomeric smiles: CC[C@@H](C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)OC(CC(C(C(=O)N1)C)O)C(C)CCCCC(C)O
-
Inchi: InChI=1S/C25H44N2O6/c1-6-15(2)22-24(31)27-13-9-12-19(27)25(32)33-21(14-20(29)18(5)23(30)26-22)16(3)10-7-8-11-17(4)28/h15-22,28-29H,6-14H2,1-5H3,(H,26,30)/t15-,16?,17?,18?,19+,20?,21?,22-/m1/s1
-
Inchikey: QOCRZHBXYGQZJC-NWYVCKSVSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C25H44N2O6
-
Molecular weight: 468.60
-
Monoisotopic mass: 468.31993713
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 21 Acremonium sp. MST-MF588a