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BioLiP Library

PDB CCD ID: A1L3H
Number of entries in BioLiP: 1
Chemical formula: C20 H32
InChI: InChI=1S/C20H32/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h7,16,18H,6,8-13H2,1-5H3/t16-,18+,20-/m1/s1
InChIKey: FRJSECSOXKQMOD-IMFGXOCKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=C2CCC3(CCC=C(C3CC(C2(C)C)CC1)C)C
CACTVS 3.385CC1=C2CC[C]3(C)CCC=C(C)[CH]3C[CH](CC1)C2(C)C
CACTVS 3.385CC1=C2CC[C@@]3(C)CCC=C(C)[C@@H]3C[C@@H](CC1)C2(C)C
OpenEye OEToolkits 2.0.7CC1=C2CC[C@]3(CCC=C([C@@H]3C[C@H](C2(C)C)CC1)C)C
Name:(1~{R},3~{R},8~{R})-4,8,12,15,15-pentamethyltricyclo[9.3.1.0^{3,8}]pentadeca-4,11-diene
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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