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BioLiP

PDB CCD ID: 0WV
Number of entries in BioLiP: 4
Chemical formula: C10 H12 O
InChI: InChI=1S/C10H12O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-6,11H,1H2,2-3H3
InChIKey: HHTWOMMSBMNRKP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Oc1cc(\C(=C)C)ccc1C
OpenEye OEToolkits 1.7.6Cc1ccc(cc1O)C(=C)C
CACTVS 3.370CC(=C)c1ccc(C)c(O)c1
Name:2-methyl-5-(prop-1-en-2-yl)phenol
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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