| Phytochemical Name : Zearalenone |
| PCNDIDZ0003 |
| Pubchem CID : 5281576 |
| Molecular formula: C18H22O5 |
| Canonical SMILES : CC1CCCC(=O)CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1 |
Synonymes : ZEARALENONE|17924-92-4|trans-Zearalenone|(-)-Zearalenone|Mycotoxin F2|(S)-Zearalenone|Zenone|(S)-(-)-Zearalenone|F-2 toxin|(10S)-Zearalenone|Compound F-2|Toxin F2|C18H22O5|(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione|CCRIS 623|CHEBI:10106|HSDB 4208|NCI-C50226|EINECS 241-864-0|MFCD00133085|6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid lactone|BRN 1350216|MLS000097901|CHEMBL454173|1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (3S,11E)-|DTXSID0021460|UNII-5W827M159J|F2 Toxin|benzoxacyclotetradecin-1,7(8H)-dione|5W827M159J|(S-(E))-3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione|SMR000058177|Benzoxacyclotetradec-11-en-1-one, 14,16-dihydroxy-3-methyl-7-oxo-, trans-|Resorcylic acid, 6-(10-hydroxy-6-oxo-1-undecenyl)-, mu-lactone, trans-|1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (S)-(-)-|1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (S-(E))-|fusarium toxin|DTXCID701460|FeS|Mycotoxin F-2|(3S,11E)-3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione|(S-(Z))-3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione|[S-(E)]-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione|1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (S-(Z))-|ZEA|Zearalenone 100 microg/mL in Acetonitrile|Mycotoxin F2;Toxin F2|CAS-17924-92-4|(S,E)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-benzo[c][1]oxacyclotetradecine-1,7(8H)-dione|ntoxin f2|1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, [S-(E)]-|36455-70-6|(S)-Zear alenone|Compound F-2|ZEARALENONE [MI]|Opera_ID_1608|ZEARALENONE [HSDB]|COMPD F-2|Epitope ID:146094|SCHEMBL33754|SCHEMBL33755|BSPBio_003581|Zearalenone, fungal mycotoxin|MLS000028817|MLS000888273|MLS001174881|BIDD:ER0058|SPECTRUM1505290|Zearalenone, reference material|fermentation estrogenic substance|6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-.beta.-resorcylic acid lactone|REGID_for_CID_657988|REGID_for_CID_5281576|(2E,11S)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione|(E)-3,4,5,6,7,8,9,10-Octahydro-14,16-dihydroxy-3-methyl-7-oxo-1H-2-benzoxacyclotetradecin-1-one|BCP06062|EX-A3324|Tox21_201153|Tox21_303510|BBL010576|BDBM50247676|CCG-40041|HB2517|LMPK04000016|LS-946|s5676|STK033813|AKOS001577898|CS-O-10885|SDCCGMLS-0066858.P001|NCGC00038520-03|NCGC00090809-01|NCGC00090809-02|NCGC00257246-01|NCGC00258705-01|(2E,11S)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraene-7,13-dione|AC-35060|VS-02573|HY-103447|CS-0027914|Z0047|C09981|Q169326|J-011439|BRD-K42017082-001-02-6|trans-6-(10-hydroxy-6-oxo-1-undecenyl)resorcylic acid mu-lactone|6-(10-hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid N-lactone|trans-14,16-dihydroxy-3-methyl-7-oxobenzoxacyclotetradec-11-en-1-one|6-(10-HYDROXY-6-OXO-TRANS-1-UNDECENYL) BETA RESORCYCLIC ACID-MU-LACTONE|(-)-(3S,11E)-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1, 7(8H)-dione|(-)-(3S,11E)-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione|(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-1,7-dione|(3S,11E)-3,4,5,6,9,10-Hexahydro-14, 16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin- 1,7(8H)-dione|(4S,12E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione|(S)-(- )-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione|(S)-(-)-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione|(S,E)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione|1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (3S)-|2beta-Methyl-15,17-dihydroxy-12,13-butano-1-oxacyclotetradecane-10,15(13),16,18(12)-tetraene-6,14-dione|3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2- benzoxacyclotetradecin-1,7(8H)-dione|3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)dione |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.520 |
| Log Po/w (XLOGP3) : 3.620 |
| Log Po/w (WLOGP) : 3.470 |
| Log Po/w (MLOGP) : 2.060 |
| Log Po/w (SILICOS-IT) : 2.640 |
| Consensus Log Po/w : 2.860 |

