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BioLiP

PDB CCD ID: DH2
Number of entries in BioLiP: 2
Chemical formula: C15 H12 O7
InChI: InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m1/s1
InChIKey: CXQWRCVTCMQVQX-CABCVRRESA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[CH]1[CH](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3
ACDLabs 10.04O=C2c3c(OC(c1ccc(O)c(O)c1)C2O)cc(O)cc3O
OpenEye OEToolkits 1.5.0c1cc(c(cc1[C@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O
OpenEye OEToolkits 1.5.0c1cc(c(cc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
CACTVS 3.341O[C@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3
Name:(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE;
(2S,3S)-TRANS-DIHYDROQUERCETIN
ChEMBL: CHEMBL209462
ZINC: ZINC000000105082
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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