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BioLiP

PDB CCD ID: 0WU
Number of entries in BioLiP: 1
Chemical formula: C10 H14 O
InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1
InChIKey: ULDHMXUKGWMISQ-VIFPVBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(=C)[C@H]1CC=C(C)C(=O)C1
OpenEye OEToolkits 1.7.6CC1=CC[C@@H](CC1=O)C(=C)C
ACDLabs 12.01O=C1C(=CCC(C(=C)\C)C1)C
CACTVS 3.370CC(=C)[CH]1CC=C(C)C(=O)C1
OpenEye OEToolkits 1.7.6CC1=CCC(CC1=O)C(=C)C
Name:(5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one;
S-carvone
ChEMBL: CHEMBL501949
ZINC: ZINC000000968102
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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