Artenimol
PubChem CID: 3000518
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| Compound Synonyms | Dihydroartemisinin, Cotexin, 71939-50-9, Artenimol, Alaxin, 81496-82-4, Dihydroqinghaosu, Dihydroartemisinine, Cotecxin, Di-hydroqinghaosu, Artenimol [INN], Dihydro Artemisinin, Salaxin, Santecxin, GNF-PF-5634, ARTENIMOL [MART.], ARTENIMOL [WHO-DD], ARTENIMOL [WHO-IP], Dihydroartemisinin, .beta.-, Dynamax, DIHYDROARTEMISININ [MI], Artenimol (INN), ARTENIMOLUM [WHO-IP LATIN], DIHYDROARTEMISININ [USP-RS], DIHYDROARTEMISININ [WHO-DD], Artemisinin, dihydro, 6A9O50735X, DHQHS 2, EURARTESIM COMPONENT DIHYDROARTEMISININ, ARTENIMOL (MART.), Artenimolum, (3r,5as,6r,8as,9r,10s,12r,12ar)-decahydro-3,6,9-trimethyl-3,12-epoxy-12h-pyrano[4,3-j][1,2]benzodioxepin-10-ol, 3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-ol, decahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-, UNII-6A9O50735X, DIHYDROARTEMISININ (USP-RS), (3R,5AS,6R,8AS,9R,10S,12R,12AR)-3,6,9-TRIMETHYLDECAHYDRO-3,12-EPOXY-12H-PYRANO(4,3-J)-1,2-BENZODIOXEPIN-10-OL, 3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol, decahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-, .beta.-dihydroartemisinin, quinghaosu, dihydro-, UNII-X0UIV26ABX, artemisinin, dihydro-, CHEMBL307261, DTXCID3025962, DTXSID5045962, dehydroartemisin, NSC 758682, (3r,5as,6r,8as,9r,10s,12r,12ar)-decahydro-3,6,9-trimethyl-3,12-epoxy-12h-pyrano(4,3-j)(1,2)benzodioxepin-10-ol, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol, I2-dihydroartemisinine, GTPL9957, SCHEMBL17156483, DIHYDROARTEMISININ, BETA-, P01BE05, BJDCWCLMFKKGEE-ISOSDAIHSA-N, CHEBI:135921, DTXSID501021652, 3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol, decahydro-3,6,9-trimethyl-, (3R-(3alpha,5abeta,6beta,8abeta,9alpha,10alpha,12beta,12aR*))-, HY-N0176, AKOS032949625, CS-5595, FD11674, NS00071253, A11600, EN300-7419972, BRD-K62213621-001-01-6, (1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-TRIMETHYL-11,14,15,16-TETRAOXATETRACYCLO[10.3.1.0?,(1)(3).0?,(1)(3)]HEXADECAN-10-OL, (1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecan-10-ol, (3R,5?S,6R,8?S,9R,10S,12R,12?R)-Decahydro-3,6,9-trimethyl- 3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-ol, ?-Dihydroartemisinin, Alaxin, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-12H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-ol, 3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol, decahydro-3,6,9-trimethyl-,(3R-(3-alpha,5a-beta,6-beta,8a-beta,9-alpha,10-alpha,12-beta,12aR*)-, 615-698-8 |
|---|---|
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 415.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C15H24O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BJDCWCLMFKKGEE-ISOSDAIHSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.286 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.968 |
| Compound Name | Artenimol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 284.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4866824000000003 |
| Inchi | InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/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)O)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