PDB CCD ID: | REV |
Number of entries in BioLiP: | 2 |
Chemical formula: | C17 H20 O4 |
InChI: | InChI=1S/C17H20O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h5-10,12,18-19H,4H2,1-3H3/t12-/m0/s1 |
InChIKey: | PIKYYJHZIWYFFE-LBPRGKRZSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | CC[C@@H](c1ccccc1)c2cc(O)c(OC)c(OC)c2O | ACDLabs 12.01 | O(c1c(O)c(cc(O)c1OC)C(c2ccccc2)CC)C | OpenEye OEToolkits 1.9.2 | CC[C@@H](c1ccccc1)c2cc(c(c(c2O)OC)OC)O | CACTVS 3.385 | CC[CH](c1ccccc1)c2cc(O)c(OC)c(OC)c2O | OpenEye OEToolkits 1.9.2 | CCC(c1ccccc1)c2cc(c(c(c2O)OC)OC)O |
|
Name: | 2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol |
ZINC: | ZINC000263620885 |