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BioLiP

PDB CCD ID: 5HX
Number of entries in BioLiP: 2
Chemical formula: C22 H24 O
InChI: InChI=1S/C22H24O/c23-20-14-12-19(13-15-20)22(16-6-2-1-3-7-16)21-17-8-4-9-18(21)11-5-10-17/h1-3,6-7,12-15,17-18,23H,4-5,8-11H2/b22-21-/t17-,18+
InChIKey: OEIKGQLRHZSEKK-UCLBXIDTSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O
ACDLabs 12.01C1C2CCCC(CC1)/C2=C(\c3ccc(O)cc3)c4ccccc4
CACTVS 3.385Oc1ccc(cc1)[C](c2ccccc2)=[C]3C4C[CH2]CC3CCC4
Name:4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)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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