BioLiP

PDB

BioLiP

PDB CCD ID:

FYS

Number of entries in BioLiP:

Chemical formula:

C22 H22 O3

InChI:

InChI=1S/C22H22O3/c1-2-21(15-3-9-18(23)10-4-15)22(16-5-11-19(24)12-6-16)17-7-13-20(25)14-8-17/h3-14,21-25H,2H2,1H3/t21-/m0/s1

InChIKey:

UXOAPYKBADUIAI-NRFANRHFSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC[CH](C(c1ccc(O)cc1)c2ccc(O)cc2)c3ccc(O)cc3
CACTVS 3.385	CC[C@H](C(c1ccc(O)cc1)c2ccc(O)cc2)c3ccc(O)cc3
ACDLabs 12.01	CCC(c1ccc(O)cc1)C(c2ccc(O)cc2)c3ccc(cc3)O
OpenEye OEToolkits 2.0.6	CC[C@@H](c1ccc(cc1)O)C(c2ccc(cc2)O)c3ccc(cc3)O
OpenEye OEToolkits 2.0.6	CCC(c1ccc(cc1)O)C(c2ccc(cc2)O)c3ccc(cc3)O

Name:

4,4',4''-[(2R)-butane-1,1,2-triyl]triphenol

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).