7-Methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one
PubChem CID: 5320515
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| Compound Synonyms | Phebalosin, 7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one, 6545-99-9, MLS004491682, SCHEMBL14315516, DG261A2, CHEBI:181545, rel-7-Methoxy-8-[(2R,3R)-3-(1-methylethenyl)-2-oxiranyl]-2H-1-benzopyran-2-one, Alosin, GAA54599, SMR003288649, NS00097016, AK-693/41507039, 8-(3-isopropenyloxiran-2-yl)-7-methoxy-chromen-2-one |
|---|---|
| Topological Polar Surface Area | 48.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 428.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C15H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YTDNHMHONBWCBV-UHFFFAOYSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -3.759 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.693 |
| Compound Name | 7-Methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 258.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 258.269 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.231266284210526 |
| Inchi | InChI=1S/C15H14O4/c1-8(2)13-15(19-13)12-10(17-3)6-4-9-5-7-11(16)18-14(9)12/h4-7,13,15H,1H2,2-3H3 |
| Smiles | CC(=C)C1C(O1)C2=C(C=CC3=C2OC(=O)C=C3)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients