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BioLiP Library

PDB CCD ID: FYS
Number of entries in BioLiP: 2
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:
SoftwareSMILES
CACTVS 3.385CC[CH](C(c1ccc(O)cc1)c2ccc(O)cc2)c3ccc(O)cc3
CACTVS 3.385CC[C@H](C(c1ccc(O)cc1)c2ccc(O)cc2)c3ccc(O)cc3
ACDLabs 12.01CCC(c1ccc(O)cc1)C(c2ccc(O)cc2)c3ccc(cc3)O
OpenEye OEToolkits 2.0.6CC[C@@H](c1ccc(cc1)O)C(c2ccc(cc2)O)c3ccc(cc3)O
OpenEye OEToolkits 2.0.6CCC(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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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