10-Hydroxy-5-methoxy-1-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]xanthen-6-one
PubChem CID: 429905
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| Compound Synonyms | Psorspermin, NSC266491, Neuro_000128, CHEMBL1978813, NSC-266491, 10-hydroxy-5-methoxy-1-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]xanthen-6-one, 6H-Furo[2, 1,2-dihydro-10-hydroxy- 5-methoxy-2-(2-methyloxiranyl)-, 6H-Furo[2,3-c]xanthen-6-one, 1,2-dihydro-10-hydroxy-5-methoxy-1-(2-methyloxiranyl)- |
|---|---|
| Topological Polar Surface Area | 77.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 566.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-hydroxy-5-methoxy-1-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C19H16O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MHXHBIQQHVEKNK-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -5.257 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.873 |
| Compound Name | 10-Hydroxy-5-methoxy-1-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]xanthen-6-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 340.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 340.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9964522000000002 |
| Inchi | InChI=1S/C19H16O6/c1-19(8-24-19)10-7-23-13-6-12(22-2)15-16(21)9-4-3-5-11(20)17(9)25-18(15)14(10)13/h3-6,10,20H,7-8H2,1-2H3 |
| Smiles | CC1(CO1)C2COC3=CC(=C4C(=C23)OC5=C(C4=O)C=CC=C5O)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Psorospermum Febrifugum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all