Broussonin F
PubChem CID: 44567164
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| Compound Synonyms | broussonin F, 4-(3-(2,4-dimethoxyphenyl)propyl)-2-methoxyphenol, 4-[3-(2,4-dimethoxyphenyl)propyl]-2-methoxyphenol, CHEMBL465845, 57430-10-1 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P11511 |
| Iupac Name | 4-[3-(2,4-dimethoxyphenyl)propyl]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C18H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CSYXIPWVEURUOB-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.786 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.675 |
| Compound Name | Broussonin F |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 302.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 302.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.327530363636364 |
| Inchi | InChI=1S/C18H22O4/c1-20-15-9-8-14(17(12-15)21-2)6-4-5-13-7-10-16(19)18(11-13)22-3/h7-12,19H,4-6H2,1-3H3 |
| Smiles | COC1=CC(=C(C=C1)CCCC2=CC(=C(C=C2)O)OC)OC |
| 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