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BioLiP

PDB CCD ID: MYF
Number of entries in BioLiP: 1
Chemical formula: C15 H10 O7
InChI: InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H
InChIKey: ARSRJFRKVXALTF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1c3c(OC(=C1)c2cc(O)c(O)c(O)c2)cc(O)cc3O
OpenEye OEToolkits 1.5.0c1c(cc(c(c1O)O)O)C2=CC(=O)c3c(cc(cc3O2)O)O
CACTVS 3.341Oc1cc(O)c2C(=O)C=C(Oc2c1)c3cc(O)c(O)c(O)c3
Name:5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE;
2-(3,4,5-TRIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE;
PENTAHYDROXYFLAVONE
ChEMBL: CHEMBL247484
DrugBank: DB08230
ZINC: ZINC000013520048
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)(download the PDF file).
  • 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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