Disporopsin
PubChem CID: 16091947
Connections displayed (default: 10).
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| Compound Synonyms | Disporopsin, 3-[(2,4-dihydroxyphenyl)methyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| 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-dihydroxyphenyl)methyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C16H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GAAPRCAFLGLOJU-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.297 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.397 |
| Compound Name | Disporopsin |
| 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 | -3.5607847636363634 |
| Inchi | InChI=1S/C16H14O6/c17-10-2-1-8(12(19)4-10)3-9-7-22-14-6-11(18)5-13(20)15(14)16(9)21/h1-2,4-6,9,17-20H,3,7H2 |
| Smiles | C1C(C(=O)C2=C(C=C(C=C2O1)O)O)CC3=C(C=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygonatum Kingianum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Polygonatum Odoratum (Plant) Rel Props:Source_db:cmaup_ingredients