Broussonin E
PubChem CID: 14213544
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| Compound Synonyms | broussonin E, 90902-21-9, 5-[3-(2-hydroxy-4-methoxyphenyl)propyl]-2-methoxyphenol, 2-[3-(3-HYDROXY-4-METHOXYPHENYL)PROPYL]-5-METHOXYPHENOL, 5-(3-(2-hydroxy-4-methoxyphenyl)propyl)-2-methoxyphenol, broussoninE, CHEMBL464472, SCHEMBL6825353, HY-N2963, QDA90221, AKOS032961993, FS-9146, DA-61907, CS-0023597, G76769 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 297.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P11511 |
| Iupac Name | 5-[3-(2-hydroxy-4-methoxyphenyl)propyl]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C17H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GDCSYNUJDYRGRF-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -3.613 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.553 |
| Compound Name | Broussonin E |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 288.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 288.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.117883742857142 |
| Inchi | InChI=1S/C17H20O4/c1-20-14-8-7-13(15(18)11-14)5-3-4-12-6-9-17(21-2)16(19)10-12/h6-11,18-19H,3-5H2,1-2H3 |
| Smiles | COC1=CC(=C(C=C1)CCCC2=CC(=C(C=C2)OC)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Broussonetia Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all