BioLiP

PDB

BioLiP

PDB CCD ID:

64Z

Number of entries in BioLiP:

Chemical formula:

C10 H18 O

InChI:

InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+

InChIKey:

GLZPCOQZEFWAFX-JXMROGBWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	CC(=CCC/C(=C/CO)/C)C
CACTVS 3.385	CC(C)=CCCC(C)=CCO
ACDLabs 12.01	C(=C/CC\C(=C\CO)C)(\C)C
OpenEye OEToolkits 2.0.4	CC(=CCCC(=CCO)C)C
CACTVS 3.385	CC(C)=CCC\C(C)=C\CO

Name:

Geraniol

ChEMBL:

CHEMBL25719

DrugBank:

DB14183

ZINC:

ZINC000001529210

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).