SEQ2FUN

BioLiP

PDB CCD ID: LYL
Number of entries in BioLiP: 1
Chemical formula: C10 H12 O
InChI: InChI=1S/C10H12O/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7,11H,1,5H2,2H3
InChIKey: WREVCRYZAWNLRZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1cccc(CC=C)c1O
ACDLabs 10.04Oc1c(cccc1C/C=C)C
OpenEye OEToolkits 1.5.0Cc1cccc(c1O)CC=C
Name:2-ALLYL-6-METHYL-PHENOL
DrugBank: DB03301
ZINC: ZINC000001690121
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).