BioLiP

PDB

BioLiP

PDB CCD ID:

EUD

Number of entries in BioLiP:

Chemical formula:

C15 H26

InChI:

InChI=1S/C15H26/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h12-14H,1,5-10H2,2-4H3/t12-,13+,14+,15-/m1/s1

InChIKey:

DJLBUNMUAZWONS-CBBWQLFWSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	C=C(\C1CCC2(CCCC(C2C1)C)C)C
CACTVS 3.341	C[C@@H]1CCC[C@]2(C)CC[C@@H](C[C@@H]12)C(C)=C
OpenEye OEToolkits 1.5.0	CC1CCC[C@]2([C@H]1C[C@H](CC2)C(=C)C)C
OpenEye OEToolkits 1.5.0	CC1CCCC2(C1CC(CC2)C(=C)C)C
CACTVS 3.341	C[CH]1CCC[C]2(C)CC[CH](C[CH]12)C(C)=C

Name:

EUDESMANE CATION

ZINC:

ZINC000058638637

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).