4-(2-Hydroxy-3-methylbut-3-enoxy)-9-methoxyfuro[3,2-g]chromen-7-one
PubChem CID: 56776189
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| Compound Synonyms | NCGC00385423-01!4-(2-hydroxy-3-methylbut-3-enoxy)-9-methoxyfuro[3,2-g]chromen-7-one |
|---|---|
| Topological Polar Surface Area | 78.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 501.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(2-hydroxy-3-methylbut-3-enoxy)-9-methoxyfuro[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C17H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FEOYRZYUONWQSO-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.71 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.602 |
| Compound Name | 4-(2-Hydroxy-3-methylbut-3-enoxy)-9-methoxyfuro[3,2-g]chromen-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6327766695652173 |
| Inchi | InChI=1S/C17H16O6/c1-9(2)12(18)8-22-14-10-4-5-13(19)23-16(10)17(20-3)15-11(14)6-7-21-15/h4-7,12,18H,1,8H2,2-3H3 |
| Smiles | CC(=C)C(COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients