Genkdaphine
PubChem CID: 126490
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Genkdaphine, 4-Oxosesamin, 139402-21-4, DTXSID10161035, 4-Oxo-2,6-bis(3',4'-methylenedioxyphenyl)-3,7-dioxabicyclo(3.3.0)octane, (3R,3aR,6R,6aS)-6-(1,3-benzodioxol-4-yl)-3-(1,3-benzodioxol-5-yl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one, 1H,3H-Furo(3,4-c)furan-1-one, 3,6-di-1,3-benzodioxol-5-yltetrahydro-, (3R-(3alpha,3aalpha,6alpha,6aalpha))-, (3R,3aR,6R,6aS)-6-(1,3-benzodioxol-4-yl)-3-(1,3-benzodioxol-5-yl)-3,3a,6,6a-tetrahydro-1H-furo(3,4-c)furan-4-one, DTXCID7083526 |
|---|---|
| Topological Polar Surface Area | 72.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 597.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3R,3aR,6R,6aS)-6-(1,3-benzodioxol-4-yl)-3-(1,3-benzodioxol-5-yl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C20H16O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SGWLAVZUOVBYOW-QTXLCTLRSA-N |
| Fcsp3 | 0.35 |
| Logs | -4.862 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.807 |
| Compound Name | Genkdaphine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 368.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 368.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8515030888888897 |
| Inchi | InChI=1S/C20H16O7/c21-20-16-12(18(27-20)11-2-1-3-14-19(11)26-9-24-14)7-22-17(16)10-4-5-13-15(6-10)25-8-23-13/h1-6,12,16-18H,7-9H2/t12-,16-,17+,18+/m1/s1 |
| Smiles | C1[C@@H]2[C@H]([C@@H](O1)C3=CC4=C(C=C3)OCO4)C(=O)O[C@H]2C5=C6C(=CC=C5)OCO6 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daphne Genkwa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Genista Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Lupinus Luteus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Piptanthus Nepalensis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Sophora Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Ulex Nanus (Plant) Rel Props:Source_db:cmaup_ingredients