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BioLiP

PDB CCD ID: J8G
Number of entries in BioLiP: 1
Chemical formula: C16 H12 O7
InChI: InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
InChIKey: JGUZGNYPMHHYRK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1cc(c2c(c1)OC(=C(C2=O)O)c3ccc(c(c3)O)O)O
ACDLabs 12.01c3c(c2C(C(=C(c1cc(c(O)cc1)O)Oc2cc3OC)O)=O)O
CACTVS 3.385COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O
Name:2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one;
rhamnetin
ChEMBL: CHEMBL312163
DrugBank: DB16772
ZINC: ZINC000003875620
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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