8-Methoxy-3-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)chromen-4-one
PubChem CID: 11588678
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| Compound Synonyms | CHEMBL4207357, 8-methoxy-3-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)chromen-4-one |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 569.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methoxy-3-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C22H22O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UFWIVSMNKNIQMW-UHFFFAOYSA-N |
| Fcsp3 | 0.2272727272727272 |
| Logs | -4.963 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.71 |
| Compound Name | 8-Methoxy-3-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 366.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 366.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.5482791185185185 |
| Inchi | InChI=1S/C22H22O5/c1-14(2)11-12-26-19-10-9-17-20(23)18(13-27-21(17)22(19)25-4)15-5-7-16(24-3)8-6-15/h5-11,13H,12H2,1-4H3 |
| Smiles | CC(=CCOC1=C(C2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)OC)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pongamia Pinnata (Plant) Rel Props:Source_db:npass_chem_all