BioLiP

PDB

BioLiP

PDB CCD ID:

LWE

Number of entries in BioLiP:

Chemical formula:

C10 H18 O

InChI:

InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1

InChIKey:

NFLGAXVYCFJBMK-DTWKUNHWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)[C@H]1CC[C@H](C)CC1=O
OpenEye OEToolkits 2.0.7	C[C@H]1CC[C@@H](C(=O)C1)C(C)C
OpenEye OEToolkits 2.0.7	CC1CCC(C(=O)C1)C(C)C
CACTVS 3.385	CC(C)[CH]1CC[CH](C)CC1=O

Name:

(+)-menthone

ChEMBL:

CHEMBL2268548

ZINC:

ZINC000000967523

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).