Natural Product (NP) Details
| General Information of the NP (ID: NP5833) | |||||
|---|---|---|---|---|---|
| Name |
Dihydroartemisinin
|
||||
| Synonyms |
Artenimol; Cotecxin; Dihydroartemisinine; Dihydroqinghaosu; Dihydroquinghaosu; Dihydroquinghoasu; VM3352; Artenimol (INN); JAV-110; GNF-PF-5634; (3R,5aS,6R,8aS,9R,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10-ol; [3R-(3.alpha.,5a.beta.,6.beta.,8a.beta.,9.alpha.,10.alpha.,12.beta.,12aR*)]-Decahydro-10-hydroxy-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4.3-j]-1,2-benzodioxepin; 1,5,9-trimethyl-(1R,4S,5R,8S,9R,10S,12R,13R)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol(Dihydroartemisinin)
Click to Show/Hide
|
||||
| Species Origin | Artemisia annua ... | Click to Show/Hide | |||
| Artemisia annua | |||||
| Disease | Malaria [ICD-11: 1F40] | Approved | [1] | ||
| Structure |
|
Click to Download Mol2D MOL |
|||
| ADMET Property |
Absporption
Caco-2 Permeability
-4.822
MDCK Permeability
-4.775
PAMPA
++
HIA
- - -
Distribution
VDss
0.29
PPB
45.7%
BBB
- - -
Metabolism
CYP1A2 inhibitor
-
CYP1A2 substrate
++
CYP2C19 inhibitor
- - -
CYP2C19 substrate
+++
CYP2C9 inhibitor
- - -
CYP2C9 substrate
+
CYP2D6 inhibitor
- - -
CYP2D6 substrate
+++
CYP3A4 inhibitor
- - -
CYP3A4 substrate
- - -
CYP2B6 inhibitor
- - -
CYP2B6 substrate
++
CYP2C8 inhibitor
- - -
HLM Stability
+++
Excretion
CLplasma
11.257
T1/2
2.124
Toxicity
DILI
+
Rat Oral Acute Toxicity
+
FDAMDD
+
Respiratory
- -
Human Hepatotoxicity
+
Ototoxicity
+
Drug-induced Nephrotoxicity
- -
Drug-induced Neurotoxicity
- -
Hematotoxicity
- -
Genotoxicity
-
Tips: 1. For the classification endpoints, the prediction probability values are transformed into six symbols: 0-0.1 (- - -), 0.1-0.3 (- -), 0.3-0.5 (-), 0.5-0.7 (+), 0.7-0.9 (++), and 0.9-1.0 (+++).
2. Additionally, the corresponding relationships of the three labels are as follows: excellent; medium; poor.
Click to Show/Hide
|
||||
| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | |||||
| Formula |
C15H24O5
|
||||
| PubChem CID | |||||
| Canonical SMILES |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C
|
||||
| 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
|
||||
| InChIKey |
BJDCWCLMFKKGEE-ISOSDAIHSA-N
|
||||
| CAS Number |
CAS 71939-50-9
|
||||
| Herb ID | |||||
| SymMap ID | |||||
| TCMSP ID | |||||
| TTD Drug ID | |||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
|---|---|---|---|---|---|---|
| α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP | ||||||
| Doxorubicin | Solid tumour/cancer | Click to Show/Hide the Molecular Data of This Drug | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
|
|||||
| Molecule(s)
Regulation |
Up-regulation | Cleavage | CASP7 | Molecule Info |
Pathway MAP
|
|
| Up-regulation | Cleavage | CASP9 | Molecule Info |
Pathway MAP
|
||
| Up-regulation | Cleavage | PARP1 | Molecule Info |
Pathway MAP
|
||
| Biological
Regulation |
Induction | Loss of mitochondrial membrane potential | ||||
| In-vitro Model | MCF-7 | CVCL_0031 | Invasive breast carcinoma | Homo sapiens | ||
| MDA-MB-231 | CVCL_0062 | Breast adenocarcinoma | Homo sapiens | |||
| T-47D | CVCL_0553 | Invasive breast carcinoma | Homo sapiens | |||
| Experimental
Result(s) |
The combinative treatment remarkably decreased the mitochondrial membrane potential and activated caspase cascades more than the mono-treatment. | |||||
| Target and Pathway | ||||
|---|---|---|---|---|
| Target(s) | Sarcoplasmic/endoplasmic reticulum calcium ATPase (ATP2A) | Molecule Info | [1] | |
