(2R)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one
PubChem CID: 163040096
Connections displayed (default: 10).
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| Topological Polar Surface Area | 96.2 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 441.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C17H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OITGKZXQKMPATO-CYBMUJFWSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.528 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.315 |
| Compound Name | (2R)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9200027565217397 |
| Inchi | InChI=1S/C17H16O6/c1-8-11(19)6-15-16(17(8)21)12(20)7-13(23-15)9-3-4-10(18)14(5-9)22-2/h3-6,13,18-19,21H,7H2,1-2H3/t13-/m1/s1 |
| Smiles | CC1=C(C2=C(C=C1O)O[C@H](CC2=O)C3=CC(=C(C=C3)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Justicia Adhatoda (Plant) Rel Props:Source_db:cmaup_ingredients