3-(2,4-Dihydroxy-5-methoxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
PubChem CID: 101040112
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| Topological Polar Surface Area | 96.2 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 413.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C16H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KPWKGYKPSLJFDC-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.648 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.896 |
| Compound Name | 3-(2,4-Dihydroxy-5-methoxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 302.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.233184763636364 |
| Inchi | InChI=1S/C16H14O6/c1-21-15-5-10(12(18)6-13(15)19)11-7-22-14-4-8(17)2-3-9(14)16(11)20/h2-6,11,17-19H,7H2,1H3 |
| Smiles | COC1=C(C=C(C(=C1)C2COC3=C(C2=O)C=CC(=C3)O)O)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