Arteamisinine I
PubChem CID: 5320312
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| Compound Synonyms | Arteamisinine I, CHEBI:229056, 7,11-dimethyl-2-oxatricyclo[6.3.1.04,12]dodec-10-en-3-one |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,11-dimethyl-2-oxatricyclo[6.3.1.04,12]dodec-10-en-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C13H18O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VXAMURHMZFPMIP-UHFFFAOYSA-N |
| Fcsp3 | 0.7692307692307693 |
| Logs | -2.772 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.628 |
| Compound Name | Arteamisinine I |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 206.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.681367 |
| Inchi | InChI=1S/C13H18O2/c1-7-3-6-10-11-9(7)5-4-8(2)12(11)15-13(10)14/h4,7,9-12H,3,5-6H2,1-2H3 |
| Smiles | CC1CCC2C3C1CC=C(C3OC2=O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients