BioLiP

PDB

BioLiP

PDB CCD ID:

LSR

Number of entries in BioLiP:

Chemical formula:

C15 H24

InChI:

InChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9-10H,7-8,11H2,1-5H3/b10-9+,12-6+

InChIKey:

KUEVAPFABUUVHS-AYCKBHPDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C
CACTVS 3.341	C\C=C(C)\C=C\C1=C(C)CCCC1(C)C
CACTVS 3.341	CC=C(C)C=CC1=C(C)CCCC1(C)C
OpenEye OEToolkits 1.5.0	CC=C(C)C=CC1=C(CCCC1(C)C)C
ACDLabs 10.04	C(/C1=C(CCCC1(C)C)C)=C\C(=C\C)C

Name:

1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene

DrugBank:

DB08127

ZINC:

ZINC000058639152

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).