7-Methoxy-3-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
PubChem CID: 155533020
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| Compound Synonyms | CHEMBL4468350 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 552.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-3-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C22H22O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IJXGRAYYCZSNKO-UHFFFAOYSA-N |
| Fcsp3 | 0.2272727272727272 |
| Logs | -5.263 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.725 |
| Compound Name | 7-Methoxy-3-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 350.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 350.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8217514153846155 |
| Inchi | InChI=1S/C22H22O4/c1-14(2)5-10-17-20(25-4)12-11-18-21(23)19(13-26-22(17)18)15-6-8-16(24-3)9-7-15/h5-9,11-13H,10H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)OC)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Tonkinensis (Plant) Rel Props:Source_db:cmaup_ingredients