Phoyunbene D
PubChem CID: 11601663
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| Compound Synonyms | Phoyunbene D, CHEBI:66756, 3-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-methoxyphenol, trans-3-Hydroxy-2',3',5-trimethoxystilbene, 3-((E)-2-(2,3-dimethoxyphenyl)ethenyl)-5-methoxyphenol, CHEMBL2012419, Q27135382, 886747-64-4 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 3-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C17H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JTNSCGPJCOQOIF-BQYQJAHWSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -4.22 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.593 |
| Compound Name | Phoyunbene D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 286.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.0705845428571426 |
| Inchi | InChI=1S/C17H18O4/c1-19-15-10-12(9-14(18)11-15)7-8-13-5-4-6-16(20-2)17(13)21-3/h4-11,18H,1-3H3/b8-7+ |
| Smiles | COC1=CC=CC(=C1OC)/C=C/C2=CC(=CC(=C2)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pholidota Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all