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BioLiP

PDB CCD ID: XGE
Number of entries in BioLiP: 3
Chemical formula: C10 H18 O
InChI: InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1
InChIKey: WUOACPNHFRMFPN-SECBINFHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC1=CC[C@H](CC1)C(C)(C)O
OpenEye OEToolkits 2.0.7CC1=CCC(CC1)C(C)(C)O
CACTVS 3.385CC1=CC[CH](CC1)C(C)(C)O
ACDLabs 12.01CC1=CCC(CC1)C(O)(C)C
Name:alpha-TERPINEOL;
2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol
ChEMBL: CHEMBL447597
ZINC: ZINC000000967595
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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