HU-308   

GtoPdb Ligand ID: 746

Synonyms: HU308 | LS-193061
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 38.69
Molecular weight 414.31
XLogP 8.07
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCCCCCC(c1cc(OC)c(c(c1)OC)C1C=C(CO)C2CC1C2(C)C)(C)C
Isomeric SMILES CCCCCCC(c1cc(OC)c(c(c1)OC)[C@H]1C=C(CO)[C@@H]2C[C@H]1C2(C)C)(C)C
InChI InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21-,22+/m0/s1
InChI Key CFMRIVODIXTERW-FDFHNCONSA-N
Classification
Compound class Synthetic organic
IUPAC Name
[(1R,2S,5R)-2-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methanol
Synonyms
HU308 | LS-193061
Database Links
BindingDB Ligand 50265621
ChEMBL Ligand CHEMBL497392
GtoPdb PubChem SID 135650356
PubChem CID 9844711
Search Google for chemical match using the InChIKey CFMRIVODIXTERW-FDFHNCONSA-N
Search Google for chemicals with the same backbone CFMRIVODIXTERW
Search UniChem for chemical match using the InChIKey CFMRIVODIXTERW-FDFHNCONSA-N
Search UniChem for chemicals with the same backbone CFMRIVODIXTERW
Wikipedia HU-308