BioLiP

PDB

BioLiP

PDB CCD ID:

9J9

Number of entries in BioLiP:

Chemical formula:

C10 H14 O2

InChI:

InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-7,12H,1-3H3

InChIKey:

QZGDYXFNICWHLG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1C=C(C(=CC1=O)C(C)C)O
ACDLabs 12.01	O=C1C=C(C(C)C)C(O)=CC1C
CACTVS 3.385	CC(C)C1=CC(=O)[CH](C)C=C1O
CACTVS 3.385	CC(C)C1=CC(=O)[C@H](C)C=C1O

Name:

(6R)-4-hydroxy-6-methyl-3-(propan-2-yl)cyclohexa-2,4-dien-1-one

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).