(2R)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-4H-1-benzopyran-4-one
PubChem CID: 59072631
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| Compound Synonyms | (2R)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-4H-1-benzopyran-4-one, 206560-98-7, DTXSID801133583, (2r)-5,7,4'-trihydroxy-6-methylflavanone |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SLFZBNOERHGNMI-CYBMUJFWSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.415 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.325 |
| Compound Name | (2R)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-4H-1-benzopyran-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 286.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7862117428571427 |
| Inchi | InChI=1S/C16H14O5/c1-8-11(18)6-14-15(16(8)20)12(19)7-13(21-14)9-2-4-10(17)5-3-9/h2-6,13,17-18,20H,7H2,1H3/t13-/m1/s1 |
| Smiles | CC1=C(C2=C(C=C1O)O[C@H](CC2=O)C3=CC=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lepechinia Caulescens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Maprounea Guianensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Peritassa Campestris (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Pseudotsuga Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients