Isoelliptol
PubChem CID: 44575275
Connections displayed (default: 10).
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| Compound Synonyms | isoelliptol, 6-(2,4,5-trimethoxyphenyl)furo(3,2-g)chromen-5-one, 6-(2,4,5-trimethoxyphenyl)furo[3,2-g]chromen-5-one, CHEMBL481251 |
|---|---|
| Topological Polar Surface Area | 67.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 561.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(2,4,5-trimethoxyphenyl)furo[3,2-g]chromen-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C20H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VHLZJIBDJSOIAT-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -5.766 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.793 |
| Compound Name | Isoelliptol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 352.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.008589630769231 |
| Inchi | InChI=1S/C20H16O6/c1-22-16-9-19(24-3)18(23-2)7-12(16)14-10-26-17-8-15-11(4-5-25-15)6-13(17)20(14)21/h4-10H,1-3H3 |
| Smiles | COC1=CC(=C(C=C1C2=COC3=C(C2=O)C=C4C=COC4=C3)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Neorautanenia Mitis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all