BioLiP

PDB

BioLiP

PDB CCD ID:

CU5

Number of entries in BioLiP:

Chemical formula:

C16 H14 O5

InChI:

InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1

InChIKey:

FKAOWOSRYSMEBS-ZDUSSCGKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1c(cc(c2c1OC(CC2=O)c3ccccc3)O)O
CACTVS 3.385	COc1c(O)cc(O)c2C(=O)C[CH](Oc12)c3ccccc3
OpenEye OEToolkits 2.0.6	COc1c(cc(c2c1O[C@@H](CC2=O)c3ccccc3)O)O
CACTVS 3.385	COc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c3ccccc3

Name:

S-Dihydrowogonin

ZINC:

ZINC000014807112

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).