alpha-Artemether
PubChem CID: 104888
Connections displayed (default: 10).
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| Compound Synonyms | alpha-Artemether, 71939-51-0, a-Artemether, (+)-alpha-Artemether, SM 229, alpha-Dihydroartemisinin methyl ether, .alpha.-Artemether, UNII-111W6L37CC, 111W6L37CC, SM-229, (+)-.alpha.-Artemether, O-Methyldihydroartemisinine, (1R,4S,5R,8S,9R,10R,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane, .alpha.-Dihydroartemisinin methyl ether, 3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin, decahydro-10-methoxy-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,10R,12R,12aR)-, 3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin, decahydro-10-methoxy-3,6,9-trimethyl-, (3alpha,5alphabeta,6beta,8alphabeta,9alpha,10beta,12beta,12aR*)-, alpha Artemether, alpha -Artemether, SCHEMBL16707229, DTXSID301044907, AKOS015895207, FA17992, alpha-Artemether ((3R,5aS,6R,8aS,9R,10R,12R,12aR)-Decahydro-10-methoxy-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin), alpha-Dihydroartemisinin Methyl Epsilonther, HY-137217, CS-0137108, EN300-25047224, Q27251212, (+)-a-Artemether, Artemether Related Compound B, a-Artemether, (1R,4S,5R,8S,9R,10R,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0?,??.0?,??]hexadecane, (1R,4S,5R,8S,9R,10R,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecane |
|---|---|
| Topological Polar Surface Area | 46.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (1R,4S,5R,8S,9R,10R,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C16H26O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXYIRMFQILZOAM-CNNNLJIRSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.845 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.492 |
| Compound Name | alpha-Artemether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 298.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8478498 |
| Inchi | InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13-,14-,15-,16-/m1/s1 |
| Smiles | C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients