3-(2,4-Dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-6-methyl-2,3-dihydrochromen-4-one
PubChem CID: 101040113
Connections displayed (default: 10).
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| Topological Polar Surface Area | 116.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 470.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-6-methyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C17H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JEHZELNRHHBZFM-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.397 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.487 |
| Compound Name | 3-(2,4-Dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-6-methyl-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 332.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7385096 |
| Inchi | InChI=1S/C17H16O7/c1-7-10(18)5-14-15(16(7)21)17(22)9(6-24-14)8-3-13(23-2)12(20)4-11(8)19/h3-5,9,18-21H,6H2,1-2H3 |
| Smiles | CC1=C(C2=C(C=C1O)OCC(C2=O)C3=CC(=C(C=C3O)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lespedeza Homoloba (Plant) Rel Props:Source_db:cmaup_ingredients