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BioLiP

PDB CCD ID: TMH
Number of entries in BioLiP: 2
Chemical formula: C10 H16
InChI: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1
InChIKey: GRWFGVWFFZKLTI-RKDXNWHRSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1=CC[CH]2C[CH]1C2(C)C
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CC1=CC[C@@H]2C[C@H]1C2(C)C
ACDLabs 12.01C1(=CCC2CC1C2(C)C)C
OpenEye OEToolkits 1.7.6CC1=CCC2CC1C2(C)C
Name:(+)-alpha-Pinene;
(+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE
ChEMBL: CHEMBL1236329
ZINC: ZINC000000967579
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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