BioLiP

PDB

BioLiP

PDB CCD ID:

0WV

Number of entries in BioLiP:

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:

Software	SMILES
ACDLabs 12.01	Oc1cc(\C(=C)C)ccc1C
OpenEye OEToolkits 1.7.6	Cc1ccc(cc1O)C(=C)C
CACTVS 3.370	CC(=C)c1ccc(C)c(O)c1

Name:

2-methyl-5-(prop-1-en-2-yl)phenol

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).