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BioLiP

PDB CCD ID: B74
Number of entries in BioLiP: 0
Chemical formula: C8 H10 O
InChI: InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3
InChIKey: JJCKHVUTVOPLBV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cccc(CO)c1
ACDLabs 12.01C(O)c1cc(ccc1)C
OpenEye OEToolkits 2.0.6Cc1cccc(c1)CO
Name:(3-methylphenyl)methanol
ZINC: ZINC000000896729
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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