HU-210   

GtoPdb Ligand ID: 731

Synonyms: HU 211 | HU210
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 49.69
Molecular weight 386.28
XLogP 6.54
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCCCCCC(c1cc(O)c2c(c1)OC(C1C2CC(=CC1)CO)(C)C)(C)C
Isomeric SMILES CCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)CO)(C)C)(C)C
InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
InChI Key SSQJFGMEZBFMNV-WOJBJXKFSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
Synonyms
HU 211 | HU210
Database Links
BindingDB Ligand 50067499
CAS Registry No. 112830-95-2 (source: Scifinder)
ChEMBL Ligand CHEMBL307696
GtoPdb PubChem SID 135650355
PubChem CID 9821569
Search Google for chemical match using the InChIKey SSQJFGMEZBFMNV-WOJBJXKFSA-N
Search Google for chemicals with the same backbone SSQJFGMEZBFMNV
Search UniChem for chemical match using the InChIKey SSQJFGMEZBFMNV-WOJBJXKFSA-N
Search UniChem for chemicals with the same backbone SSQJFGMEZBFMNV
Wikipedia HU-210

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Tocris
HU 210
Cat. No. 0966