Chromone, 5-hydroxy-6,7,8-trimethoxy-2,3-dimethyl-
PubChem CID: 5377709
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Chromone, 5-hydroxy-6,7,8-trimethoxy-2,3-dimethyl-, YPLSIMODAPCAJW-UHFFFAOYSA-N, 5-Hydroxy-6,7,8-trimethoxy-2,3-dimethyl-4H-chromen-4-one # |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-6,7,8-trimethoxy-2,3-dimethylchromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 2.4 |
| Molecular Formula | C14H16O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YPLSIMODAPCAJW-UHFFFAOYSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -2.648 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.949 |
| Compound Name | Chromone, 5-hydroxy-6,7,8-trimethoxy-2,3-dimethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 280.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1042112 |
| Inchi | InChI=1S/C14H16O6/c1-6-7(2)20-11-8(9(6)15)10(16)12(17-3)14(19-5)13(11)18-4/h16H,1-5H3 |
| Smiles | CC1=C(OC2=C(C(=C(C(=C2C1=O)O)OC)OC)OC)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients