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BioLiP

PDB CCD ID: CNL
Number of entries in BioLiP: 7
Chemical formula: C10 H18 O
InChI: InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+
InChIKey: WEEGYLXZBRQIMU-WAAGHKOSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1(C2CCC(O1)(CC2)C)C
CACTVS 3.341CC12CCC(CC1)C(C)(C)O2
ACDLabs 10.04O2C1(CCC(CC1)C2(C)C)C
Name:1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE;
1,8-CINEOLE
ChEMBL: CHEMBL1231862
DrugBank: DB03852
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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