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BioLiP

PDB CCD ID: ZER
Number of entries in BioLiP: 20
Chemical formula: C18 H22 O5
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-QBODLPLBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1CCCC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)O
ACDLabs 12.01O=C1OC(CCCC(=O)CCCC=Cc2cc(O)cc(O)c12)C
OpenEye OEToolkits 1.7.6C[C@H]1CCCC(=O)CCC/C=C/c2cc(cc(c2C(=O)O1)O)O
CACTVS 3.385C[C@H]1CCCC(=O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1
CACTVS 3.385C[CH]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1
Name:(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione;
Zearalenone
ChEMBL: CHEMBL454173
ZINC: ZINC000003881412
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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