BioLiP

PDB

BioLiP

PDB CCD ID:

5KB

Number of entries in BioLiP:

Chemical formula:

C25 H24 O2

InChI:

InChI=1S/C25H24O2/c26-23-13-9-19(10-14-23)25(20-11-15-24(27)16-12-20)22-8-4-7-21(17-22)18-5-2-1-3-6-18/h1-3,5-6,9-16,21,26-27H,4,7-8,17H2/t21-/m1/s1

InChIKey:

VCHVPGQUQBYGKQ-OAQYLSRUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc(cc1)C(=C2CCC[CH](C2)c3ccccc3)c4ccc(O)cc4
OpenEye OEToolkits 1.9.2	c1ccc(cc1)C2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2
CACTVS 3.385	Oc1ccc(cc1)C(=C2CCC[C@H](C2)c3ccccc3)c4ccc(O)cc4
ACDLabs 12.01	Oc1ccc(cc1)/C(c2ccc(O)cc2)=C3/CC(CCC3)c4ccccc4
OpenEye OEToolkits 1.9.2	c1ccc(cc1)[C@@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2

Name:

4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol

ZINC:

ZINC000584904939

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).