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BioLiP

PDB CCD ID: IT9
Number of entries in BioLiP: 1
Chemical formula: C10 H14 O
InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3/t9-/m1/s1
InChIKey: SEZLYIWMVRUIKT-SECBINFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5CC1=CC(=O)[C@H](CC1)C(=C)C
CACTVS 3.385CC(=C)[CH]1CCC(=CC1=O)C
OpenEye OEToolkits 2.0.5CC1=CC(=O)C(CC1)C(=C)C
CACTVS 3.385CC(=C)[C@H]1CCC(=CC1=O)C
Name:(-)-Isopiperitenone
ZINC: ZINC000100065020
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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