3RL
Summary
| Name: | Pterostilbene |
| Formula: | C16 H16 O3 |
| Formal charge: | 0 |
| Formula weight: | 256.296 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol |
| OpenEye OEToolkits | 1.9.2 | 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(c1cc(cc(OC)c1)\C=C\c2ccc(O)cc2)C |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | VLEUZFDZJKSGMX-ONEGZZNKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(OC)cc(/C=C/c2ccc(O)cc2)c1 |
| SMILES | CACTVS | 3.385 | COc1cc(OC)cc(C=Cc2ccc(O)cc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1cc(cc(c1)OC)/C=C/c2ccc(cc2)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1cc(cc(c1)OC)C=Cc2ccc(cc2)O |
