(2S)-2-(2,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
PubChem CID: 162923770
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| Topological Polar Surface Area | 90.2 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-(2,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DIDKWDDDUNDCBA-AWEZNQCLSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.139 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.624 |
| Compound Name | (2S)-2-(2,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 274.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4241864 |
| Inchi | InChI=1S/C15H14O5/c16-8-1-2-10(12(18)5-8)14-4-3-11-13(19)6-9(17)7-15(11)20-14/h1-2,5-7,14,16-19H,3-4H2/t14-/m0/s1 |
| Smiles | C1CC2=C(C=C(C=C2O[C@@H]1C3=C(C=C(C=C3)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Dadah (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Canthium Berberidifolium (Plant) Rel Props:Source_db:cmaup_ingredients