Phoyunbene A
PubChem CID: 11522311
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| Compound Synonyms | Phoyunbene A, CHEBI:66753, 3-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2,6-dimethoxyphenol, trans-3,3'-Dihydroxy-2',4',5-trimethoxystilbene, 3-((E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl)-2,6-dimethoxyphenol, CHEMBL2012416, Q27135378, 886747-61-1 |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 359.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 3-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2,6-dimethoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C17H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DYWOJJOORBDHBP-SNAWJCMRSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -4.279 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.231 |
| Compound Name | Phoyunbene A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 302.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.9237575636363635 |
| Inchi | InChI=1S/C17H18O5/c1-20-14-9-11(8-13(18)10-14)4-5-12-6-7-15(21-2)16(19)17(12)22-3/h4-10,18-19H,1-3H3/b5-4+ |
| Smiles | COC1=C(C(=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)O)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