PDB CCD ID: | A8V |
Number of entries in BioLiP: | 2 |
Chemical formula: | C16 H24 O3 |
InChI: | InChI=1S/C16H24O3/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16-18H,1-3,5-6,9-10,12H2/t16-/m0/s1 |
InChIKey: | JEPZJYPEDPLQFU-INIZCTEOSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | OC(CCO)c2cc(OCC1CCCCC1)ccc2 | OpenEye OEToolkits 1.9.2 | c1cc(cc(c1)OCC2CCCCC2)[C@H](CCO)O | CACTVS 3.385 | OCC[CH](O)c1cccc(OCC2CCCCC2)c1 | OpenEye OEToolkits 1.9.2 | c1cc(cc(c1)OCC2CCCCC2)C(CCO)O | CACTVS 3.385 | OCC[C@H](O)c1cccc(OCC2CCCCC2)c1 |
|
Name: | (1S)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol |
ZINC: | ZINC000230507470 |