BioLiP

PDB

BioLiP

PDB CCD ID:

9IU

Number of entries in BioLiP:

Chemical formula:

C10 H16

InChI:

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1

InChIKey:

XMGQYMWWDOXHJM-SNVBAGLBSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CC1=CCC(CC1)C(C)=C
CACTVS 3.385	CC(=C)[CH]1CCC(=CC1)C
CACTVS 3.385	CC(=C)[C@H]1CCC(=CC1)C
OpenEye OEToolkits 2.0.7	CC1=CCC(CC1)C(=C)C
OpenEye OEToolkits 2.0.7	CC1=CC[C@H](CC1)C(=C)C

Name:

(4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene;
S-(-)-limonene

ChEMBL:

CHEMBL236688

ZINC:

ZINC000000968226

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).