PDB CCD ID: | 3RL |
Number of entries in BioLiP: | 10 |
Chemical formula: | C16 H16 O3 |
InChI: | InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+ |
InChIKey: | VLEUZFDZJKSGMX-ONEGZZNKSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | O(c1cc(cc(OC)c1)\C=C\c2ccc(O)cc2)C | OpenEye OEToolkits 1.9.2 | COc1cc(cc(c1)OC)C=Cc2ccc(cc2)O | CACTVS 3.385 | COc1cc(OC)cc(C=Cc2ccc(O)cc2)c1 | CACTVS 3.385 | COc1cc(OC)cc(/C=C/c2ccc(O)cc2)c1 | OpenEye OEToolkits 1.9.2 | COc1cc(cc(c1)OC)/C=C/c2ccc(cc2)O |
|
Name: | Pterostilbene |
ChEMBL: | CHEMBL83527 |
DrugBank: | DB17939 |
ZINC: | ZINC000000899213 |