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BioLiP

PDB CCD ID: DZN
Number of entries in BioLiP: 8
Chemical formula: C21 H20 O9
InChI: InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
InChIKey: KYQZWONCHDNPDP-QNDFHXLGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC[CH]1O[CH](Oc2ccc3C(=O)C(=COc3c2)c4ccc(O)cc4)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@@H](Oc2ccc3C(=O)C(=COc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0c1cc(ccc1C2=COc3cc(ccc3C2=O)OC4C(C(C(C(O4)CO)O)O)O)O
ACDLabs 10.04O=C3c4ccc(OC1OC(C(O)C(O)C1O)CO)cc4OC=C3c2ccc(O)cc2
OpenEye OEToolkits 1.5.0c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Name:DAIDZIN;
4',7-DIHYDROXYISOFLAVONE;
7-O-B-D-GLUCOPYRANOSIDE
ChEMBL: CHEMBL486422
DrugBank: DB02115
ZINC: ZINC000004098610
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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