BioLiP

PDB

BioLiP

PDB CCD ID:

A1L3H

Number of entries in BioLiP:

Chemical formula:

C20 H32

InChI:

InChI=1S/C20H32/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h7,16,18H,6,8-13H2,1-5H3/t16-,18+,20-/m1/s1

InChIKey:

FRJSECSOXKQMOD-IMFGXOCKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1=C2CCC3(CCC=C(C3CC(C2(C)C)CC1)C)C
CACTVS 3.385	CC1=C2CC[C]3(C)CCC=C(C)[CH]3C[CH](CC1)C2(C)C
CACTVS 3.385	CC1=C2CC[C@@]3(C)CCC=C(C)[C@@H]3C[C@@H](CC1)C2(C)C
OpenEye OEToolkits 2.0.7	CC1=C2CC[C@]3(CCC=C([C@@H]3C[C@H](C2(C)C)CC1)C)C

Name:

(1~{R},3~{R},8~{R})-4,8,12,15,15-pentamethyltricyclo[9.3.1.0^{3,8}]pentadeca-4,11-diene

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).