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BioLiP

PDB CCD ID: 5J0
Number of entries in BioLiP: 2
Chemical formula: C22 H24 O2
InChI: InChI=1S/C22H24O2/c23-19-12-10-17(11-13-19)22(18-8-3-9-20(24)14-18)21-15-4-1-5-16(21)7-2-6-15/h3,8-16,23-24H,1-2,4-7H2/b22-21-/t15-,16+
InChIKey: MPHSLLGYXNIWMO-MVFCNCFGSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C1CCC\2CCCC1C/2=C(/c3cccc(c3)O)c4ccc(cc4)O
CACTVS 3.385Oc1ccc(cc1)[C](c2cccc(O)c2)=[C]3C4C[CH2]CC3CCC4
OpenEye OEToolkits 1.9.2c1cc(cc(c1)O)C(=C2C3CCCC2CCC3)c4ccc(cc4)O
Name:3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol
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).
  • 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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