BioLiP

PDB

BioLiP

PDB CCD ID:

CRE

Number of entries in BioLiP:

Chemical formula:

C15 H24

InChI:

InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,1,5,7-8,10-11H2,2-4H3/t15-/m1/s1

InChIKey:

XMRKUJJDDKYUHV-OAHLLOKOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1=CCCC(=CCC(CC1)C(=C)C)C
ACDLabs 10.04	C1(=CCCC(=CCC(\C(=C)C)CC1)C)C
CACTVS 3.341	CC(=C)[CH]1CCC(=CCCC(=CC1)C)C
CACTVS 3.341	CC(=C)[C@@H]1CC\C(=C/CC\C(=C\C1)C)C
OpenEye OEToolkits 1.5.0	CC1=CCCC(=CC[C@@H](CC1)C(=C)C)C

Name:

GERMACRENE A;
8-ISOPROPENYL-1,5-DIMETHYL-CYCLODECA-1,5-DIENE

ZINC:

ZINC000263621225

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).