(-)-Oxypeucedanin
PubChem CID: 53398748
Connections displayed (default: 10).
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| Compound Synonyms | (-)-Oxypeucedanin, (S)-(-)-Oxypeucedanin, Oxypeucedanin, (-)- |
|---|---|
| Topological Polar Surface Area | 57.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 483.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(3,3-dimethyloxiran-2-yl)methoxy]-3,7-dihydrofuro[3,2-g]chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C16H16O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KUEXEFAECRHRKN-UHFFFAOYSA-N |
| Fcsp3 | 0.4375 |
| Logs | -4.04 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.829 |
| Compound Name | (-)-Oxypeucedanin, (S)-(-)-Oxypeucedanin, Oxypeucedanin, (-)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 288.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 288.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6992823714285716 |
| Inchi | InChI=1S/C16H16O5/c1-16(2)14(21-16)8-19-11-3-4-18-13-7-12-9(5-10(11)13)6-15(17)20-12/h3,5,7,14H,4,6,8H2,1-2H3 |
| Smiles | CC1(C(O1)COC2=CCOC3=C2C=C4CC(=O)OC4=C3)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Paeonia Obovata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Paeonia Suffruticosa (Plant) Rel Props:Source_db:cmaup_ingredients