Drug Information
General Information of This Drug
| Drug ID | DRG00109 | |||||
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| Drug Name | Artemisinin | |||||
| Synonyms |
artemisinin; Qinghaosu; 63968-64-9; Huanghuahaosu; Artemisinine; Artemisine; (+)-Artemisinin; Artemisinina; Artemisininum; Qinghosu; Quing Hau Sau; Qing Hau SU; Artemisinin [INN]; Qing Hau Sau; Artemisininum [Latin]; CHEBI:223316; UNII-9RMU91N5K2; NSC 369397; BRN 4194670; 9RMU91N5K2; DTXSID2040652; GNF-Pf-5341; Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one; DTXCID40819890; EC 700-290-5; (+)-Arteannuin; (3R,5aS,6R,8aS,9R,12S,12aR)-Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one; Artemisininum (Latin); quinghaosu; ARTEMISININ (MART.); ARTEMISININ [MART.]; ARTEMISININ (USP-RS); ARTEMISININ [USP-RS]; (1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecan-10-one; (1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one; (3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-Trimethyloctahydro-3,12-epoxypyrano(4,3-j)(1,2)benzodioxepin-10(3H)-one; 3,12-Epoxy-12H-pyranol(4,3-j)-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (3-alpha,5a-beta,6-beta,8a-beta,9-alpha,12-beta,12aR*)-(+)-; Qinghaosu [Chinese]; Artemisinine [French]; Artemisinina [Spanish]; Qing Hau Sau [Chinese]; qing hao su; NSC-369397; (3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyloctahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10(3H)-one; (3R,5aS,6R,8aS,9R,12S,12aR)-Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one; 1,5,9-trimethyl-(1R,4S,5R,9R,12S,13R)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one; SMR000578089; SR-01000802560; Artesin; MFCD00081057; NCGC00160207-01; 1,5,9-trimethyl-(1R,4S,5R,9R,12S,13R)-11,14,15,16-tetraoxatetracyclo(10.3.1.04,13.08,13)hexadecan-10-one; Artemisinin; (3R,5aS,6R,8aS,9R,12S,12aR)-Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one; CAS-63968-64-9; (+/-)-Artemisinin; Spectrum_001351; ARTEMISININ [MI]; Prestwick0_000498; Prestwick1_000498; Prestwick2_000498; Prestwick3_000498; Spectrum2_001512; Spectrum3_001549; Spectrum4_000721; Spectrum5_001098; SCHEMBL60304; ARTEMISININ [WHO-DD]; ARTEMISININ [WHO-IP]; BSPBio_000395; BSPBio_002998; KBioGR_000982; KBioSS_001831; MLS001097650; MLS001304036; MLS002153846; DivK1c_000656; SPBio_001583; SPBio_002316; BPBio1_000435; CHEMBL269671; GTPL9954; KBio1_000656; KBio2_001831; KBio2_004399; KBio2_006967; KBio3_002498; P01BE01; NINDS_000656; DTXSID501045125; HMS2090I17; HMS2096D17; HMS2267N09; HMS3269L13; HMS3413P13; HMS3677P13; HMS3713D17; Pharmakon1600-01503042; BCP02096; HY-B0094; Tox21_111750; ARTEMISININUM [WHO-IP LATIN]; BDBM50088447; HB1115; NSC758216; AKOS024457231; Tox21_111750_1; CCG-220498; CS-1794; DB13132; LMPR0103190003; NSC-758216; IDI1_000656; NCGC00161634-06; NCGC00161634-18; (3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyloctahydro-12H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one; (3R,5AS,6R,8AS,9R,12S,12aR)-3,6,9-trimethyloctahydro-3,12-epoxypyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one; AS-12692; NS00010623; S1282; EN300-7390753; Q426921; SR-01000802560-2; SR-01000802560-3; SR-01000802560-4; BRD-K13112821-001-08-3; BRD-K13112821-001-17-4; 2AB44F63-5D0F-424A-AA3F-24062F9C1CED; (3R,5AS,6R,8AS,9R,12S,12AR)-3,6,9-TRIMETHYLOCTAHYDRO-3,12-EPOXYPYRANO(4,3-J )-1,2-BENZODIOXEPIN-10(3H)-ONE; (3R,5aS,6R,8aS,9R,12S,12aR)-Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1, 2-benzodioxepin-10(3H)-one; 119241-68-8
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| Target(s) | Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase); Sarcoplasmic/endoplasmic reticulum calcium ATPase (ATP2A) | Target Info | ||||
| Structure |
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| Formula |
C15H22O5
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| #Ro5 Violations (Lipinski): 0 | Molecular Weight (mw) | 282.33 | ||||
| Lipid-water partition coefficient (xlogp) | 2.8 | |||||
| Hydrogen Bond Donor Count (hbonddonor) | 0 | |||||
| Hydrogen Bond Acceptor Count (hbondacc) | 5 | |||||
| Rotatable Bond Count (rotbonds) | 0 | |||||
| PubChem CID | ||||||
| Canonical smiles |
CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C
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| InChI |
InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1
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| InChIKey |
BLUAFEHZUWYNDE-NNWCWBAJSA-N
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| IUPAC Name |
(1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
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Each Peptide-drug Conjugate Related to This Drug