(S,E)-Zearalenone
PubChem CID: 5375083
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| Compound Synonyms | (S,E)-Zearalenone, 7645-23-0, (12E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione, fusarium toxin, Mycotoxin F 2, rac Zearalenone-d6, Toxin, fusarium, (E)-3,4,5,6,7,8,9,10-Octahydro-14,16-dihydroxy-3-methyl-7-oxo-1H-2-benzoxacyclotetradecin-1-one, SCHEMBL588841, SCHEMBL588842, 6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-.beta.-resorcylic acid lactone, CHEMBL1397216, CHEBI:125462, CHEBI:175078, (11S)-11-methyl-15,17-bis(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraene-7,13-dione, 14,16-Dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione-, [S-(E)]-, 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, [S-(E)]-, ZON, NCGC00095344-01, NCGC00095344-03, AB01209588-01, BRD-A94796533-001-01-1, 14,16-dihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-1,7-dione, 1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-7-oxo-, (E)- |
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| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | MBMQEIFVQACCCH-XVNBXDOJSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | Zearalenone |
| Heavy Atom Count | 23.0 |
| Compound Name | (S,E)-Zearalenone |
| Description | Fungal metabolite of Fusarium subspecies and of Gibberella zeae. Potential food mycotoxin. Has weak estrogenic activity and causes physiol. changes when ingested by animals as foodstuffs contaminant. (S,E)-Zearalenone is found in corn. |
| Exact Mass | 318.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.147 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 445.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 318.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (12E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| 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+ |
| Smiles | CC1CCCC(=O)CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1 |
| Xlogp | 3.6 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C18H22O5 |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all