6,7-Dimethoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
PubChem CID: 632958
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| Compound Synonyms | 24203-68-7, 2',4',5',6,7-Pentamethoxyisoflavone, 6,7-dimethoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one, 6,7,2',4',5'-Pentamethoxyisoflavone, 6,7-Dimethoxy-3-(2,4,5-trimethoxyphenyl)-4H-chromen-4-one, iso-sinensetin, Isoflavone, 2',4',5',6,7-pentamethoxy-, 4H-1-Benzopyran-4-one, 6,7-dimethoxy-3-(2,4,5-trimethoxyphenyl)-, CHEMBL234933, DTXSID90348226, ADVSBKKAOLGTQF-UHFFFAOYSA-N, LMPK12050120, 6,7-Dimethoxy-3-(2,4,5-trimethoxyphenyl)-4H-chromen-4-one # |
|---|---|
| Topological Polar Surface Area | 72.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 548.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7-dimethoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C20H20O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ADVSBKKAOLGTQF-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.168 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.734 |
| Compound Name | 6,7-Dimethoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 372.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 372.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 372.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6087311185185196 |
| Inchi | InChI=1S/C20H20O7/c1-22-14-8-18(25-4)16(23-2)6-11(14)13-10-27-15-9-19(26-5)17(24-3)7-12(15)20(13)21/h6-10H,1-5H3 |
| Smiles | COC1=CC(=C(C=C1C2=COC3=CC(=C(C=C3C2=O)OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arctostaphylos Pumila (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Citrus Natsudaidai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Citrus Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Hibiscus Mutabilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Ulex Nanus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all