Cis-zearalenone
-
Formula: C18H22O5
-
Molecular weight: 318.40
-
Smiles: CC1CCCC(=O)CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1
Cis-zearalenone
Names
-
Mycotoxin name: Cis-zearalenone
-
First synonym: Cis-zearalenone
-
Synonyms: cis-Zearalenone,(S,E)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-benzo[c][1]oxacyclotetradecine-1,7(8H)-dione,cis Zearalenone,36455-70-6,ZINC100007202,NCGC00090809-03,NCGC00090809-04,(3S,11Z)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro- 1H-2-benzoxacyclotetradecine-1,7(8H)-dione,(S,Z)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-benzo[c][1]oxacyclotetradecine-1,7(8H)-dione,1H-2-Benzoxacyclotetradecin-1,7(8H)-dione,3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (3S,11E)-
Identifiers / External links
-
CAS: 36455-70-6
-
PubChem CID: 12445020
-
ChemSpiderID: 4524664
-
CompTox Chemicals Dashboard (DTXSID): DTXSID001020297
Structure
-
Smiles: CC1CCCC(=O)CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1
-
Isomeric smiles: C[C@H]1CCCC(=O)CCC/C=C\C2=C(C(=CC(=C2)O)O)C(=O)O1
-
Inchi: InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3-/t12-/m0/s1
-
Inchikey: MBMQEIFVQACCCH-MIBUCLJRSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C18H22O5
-
Molecular weight: 318.40
-
Monoisotopic mass: 318.1467238
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