4-(2-Hydroxy-3-methoxy-3-methylbutoxy)-9-methoxyfuro[3,2-g]chromen-7-one
PubChem CID: 102165492
Connections displayed (default: 10).
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| Topological Polar Surface Area | 87.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 518.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(2-hydroxy-3-methoxy-3-methylbutoxy)-9-methoxyfuro[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C18H20O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FDELMZACGNNYPY-UHFFFAOYSA-N |
| Fcsp3 | 0.3888888888888889 |
| Logs | -3.816 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.511 |
| Compound Name | 4-(2-Hydroxy-3-methoxy-3-methylbutoxy)-9-methoxyfuro[3,2-g]chromen-7-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 348.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 348.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2531762000000004 |
| Inchi | InChI=1S/C18H20O7/c1-18(2,22-4)12(19)9-24-14-10-5-6-13(20)25-16(10)17(21-3)15-11(14)7-8-23-15/h5-8,12,19H,9H2,1-4H3 |
| Smiles | CC(C)(C(COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)O)OC |
| 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