4',6,7-Trimethoxyisoflavone
PubChem CID: 688655
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| Compound Synonyms | 4',6,7-Trimethoxyisoflavone, 798-61-8, 6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one, 6,7,4'-trimethoxyisoflavone, 6,7-DIMETHOXY-3-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE, Texasin dimethyl ether, KBio1_001855, MFCD00016949, SpecPlus_000815, Afromosin 7-O-methyl ether, CHEMBL12673, DivK1c_006911, Glycitein 7,4'-dimethylether, 4',6,7-trimethoxy isoflavone, Glycitein-7,4'-dimethyl ether, SCHEMBL7030328, DTXSID60350937, YHXIOAVHEXKZCQ-UHFFFAOYSA-N, MSK158832, STL434884, AKOS024285555, FT66416, AS-59142, PD158734, 6,7-Dimethoxy-3-(4-methoxyphenyl)chromone, DB-075629, HY-133951, CS-0135952, T3410, T72954, 6,7-dimethoxy-3-(4-methoxyphenyl)-4H-1-Benzopyran-4-one, 4H-1-Benzopyran-4-one, 6,7-dimethoxy-3-(4-methoxyphenyl)-, 6,7,4'-Trimethoxyisoflavone6,7-DIMETHOXY-3-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE, 6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C18H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YHXIOAVHEXKZCQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.416 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.846 |
| Compound Name | 4',6,7-Trimethoxyisoflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 312.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4761728086956527 |
| Inchi | InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)14-10-23-15-9-17(22-3)16(21-2)8-13(15)18(14)19/h4-10H,1-3H3 |
| Smiles | COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myroxylon Peruiferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all