L-759,656   

GtoPdb Ligand ID: 749

Synonyms: L-759656 | L759656
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 18.46
Molecular weight 384.3
XLogP 8.79
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCCCCCC(c1cc(OC)c2c(c1)OC(C1C2CC(=C)CC1)(C)C)(C)C
Isomeric SMILES CCCCCCC(c1cc(OC)c2c(c1)OC([C@H]1[C@H]2CC(=C)CC1)(C)C)(C)C
InChI InChI=1S/C26H40O2/c1-8-9-10-11-14-25(3,4)19-16-22(27-7)24-20-15-18(2)12-13-21(20)26(5,6)28-23(24)17-19/h16-17,20-21H,2,8-15H2,1,3-7H3/t20-,21-/m1/s1
InChI Key BJIIKHXAZBTGLF-NHCUHLMSSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(6aR,10aR)-1-methoxy-6,6-dimethyl-9-methylidene-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene
Synonyms
L-759656 | L759656
Database Links
BindingDB Ligand 50287940
ChEMBL Ligand CHEMBL294013
GtoPdb PubChem SID 135650490
PubChem CID 5311216
Search Google for chemical match using the InChIKey BJIIKHXAZBTGLF-NHCUHLMSSA-N
Search Google for chemicals with the same backbone BJIIKHXAZBTGLF
Search UniChem for chemical match using the InChIKey BJIIKHXAZBTGLF-NHCUHLMSSA-N
Search UniChem for chemicals with the same backbone BJIIKHXAZBTGLF
Wikipedia L-759,656