5,7-Dihydroxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
PubChem CID: 7330538
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| Compound Synonyms | 7-demethylrobustigenin, 75340-02-2, 5,7-dihydroxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one, 5,7-Dihydroxy-3-(2,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one, MEGxp0_001809, CHEMBL1087519, DTXSID301177865 |
|---|---|
| Topological Polar Surface Area | 94.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C18H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JLYUMUHNYLUAKZ-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.587 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.624 |
| Compound Name | 5,7-Dihydroxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 344.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5388778000000007 |
| Inchi | InChI=1S/C18H16O7/c1-22-13-7-15(24-3)14(23-2)6-10(13)11-8-25-16-5-9(19)4-12(20)17(16)18(11)21/h4-8,19-20H,1-3H3 |
| Smiles | COC1=CC(=C(C=C1C2=COC3=CC(=CC(=C3C2=O)O)O)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all