SEQ2FUN

BioLiP

PDB CCD ID: GBJ
Number of entries in BioLiP: 6
Chemical formula: C20 H20 O4
InChI: InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
InChIKey: LBQIJVLKGVZRIW-ZDUSSCGKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1(C=Cc2c(ccc3c2OCC(C3)c4ccc(cc4O)O)O1)C
CACTVS 3.385CC1(C)Oc2ccc3C[C@@H](COc3c2C=C1)c4ccc(O)cc4O
CACTVS 3.385CC1(C)Oc2ccc3C[CH](COc3c2C=C1)c4ccc(O)cc4O
ACDLabs 12.01O4c2c1C=CC(Oc1ccc2CC(c3ccc(O)cc3O)C4)(C)C
OpenEye OEToolkits 1.7.6CC1(C=Cc2c(ccc3c2OC[C@H](C3)c4ccc(cc4O)O)O1)C
Name:4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol;
glabridin
ChEMBL: CHEMBL480477
ZINC: ZINC000004098719
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).