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BioLiP

PDB CCD ID: 9IR
Number of entries in BioLiP: 2
Chemical formula: C10 H16
InChI: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
InChIKey: XMGQYMWWDOXHJM-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=CC[C@@H](CC1)C(=C)C
ACDLabs 12.01CC1=CCC(CC1)C(C)=C
CACTVS 3.385CC(=C)[CH]1CCC(=CC1)C
OpenEye OEToolkits 2.0.7CC1=CCC(CC1)C(=C)C
CACTVS 3.385CC(=C)[C@@H]1CCC(=CC1)C
Name:(4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene;
R-(+)-limonene
ChEMBL: CHEMBL449062
DrugBank: DB08921
ZINC: ZINC000000967513
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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