Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.4504 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12CC[C@@]3(C)C[C@@]1(CC3=O)CC[C@]4([H])[C@@](C)(CCC[C@@]24C)C(O)=O
InChI
InChIKey=KFVUFODCZDRVSS-XGBBNYNSSA-N
InChI=1S/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m0/s1
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.4504 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
DescriptionCurator's Comment: description was created based on several sources, including:
https://examine.com/supplements/stevia/ | https://www.ncbi.nlm.nih.gov/pubmed/15935396 | https://www.ncbi.nlm.nih.gov/pubmed/26712732
Curator's Comment: description was created based on several sources, including:
https://examine.com/supplements/stevia/ | https://www.ncbi.nlm.nih.gov/pubmed/15935396 | https://www.ncbi.nlm.nih.gov/pubmed/26712732
Stevia is the common word to refer to the plant stevia rebaudiana which is the sweetest of the stevia species of plants and historically used as a sweetening agent. Several studies have suggested that in addition to their sweetness, steviosides and their related compounds, including rebaudioside A and isosteviol, may offer additional therapeutic benefits. These benefits include anti-hyperglycaemic, anti-hypertensive, anti-inflammatory, anti-tumor, anti-diarrheal, diuretic, and immunomodulatory actions. Isosteviol inhibits DNA polymerases and human DNA topoisomerase II. It also retards growth of three different types of human cancer cells and inhibits inflammation induced by TPA. Isosteviol had been in phase II clinical trials for the treatment of Type 2 diabetes mellitus.
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL1828 |
27.5 µM [Ki] | ||
Target ID: CHEMBL5367 |
103.0 µM [IC50] | ||
Target ID: CHEMBL4343 |
177.0 µM [IC50] | ||
Target ID: CHEMBL2094255 |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
|||
| Primary | Unknown Approved UseUnknown |
|||
| Primary | Unknown Approved UseUnknown |
Cmax
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
4.24 μg/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/18701231 |
4 mg/kg single, oral dose: 4 mg/kg route of administration: Oral experiment type: SINGLE co-administered: |
ISOSTEVIOL plasma | Rattus norvegicus population: HEALTHY age: ADULT sex: UNKNOWN food status: FASTED |
AUC
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
1046.2 μg × min/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/18701231 |
4 mg/kg single, intravenous dose: 4 mg/kg route of administration: Intravenous experiment type: SINGLE co-administered: |
ISOSTEVIOL plasma | Rattus norvegicus population: HEALTHY age: ADULT sex: UNKNOWN food status: FASTED |
|
632.3 μg × min/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/18701231 |
4 mg/kg single, oral dose: 4 mg/kg route of administration: Oral experiment type: SINGLE co-administered: |
ISOSTEVIOL plasma | Rattus norvegicus population: HEALTHY age: ADULT sex: UNKNOWN food status: FASTED |
T1/2
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
150.6 min EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/18701231 |
4 mg/kg single, intravenous dose: 4 mg/kg route of administration: Intravenous experiment type: SINGLE co-administered: |
ISOSTEVIOL plasma | Rattus norvegicus population: HEALTHY age: ADULT sex: UNKNOWN food status: FASTED |
|
169.9 min EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/18701231 |
4 mg/kg single, oral dose: 4 mg/kg route of administration: Oral experiment type: SINGLE co-administered: |
ISOSTEVIOL plasma | Rattus norvegicus population: HEALTHY age: ADULT sex: UNKNOWN food status: FASTED |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:45:58 UTC 2023
by
admin
on
Fri Dec 15 17:45:58 UTC 2023
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| Record UNII |
091QB7QO95
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| Record Status |
Validated (UNII)
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| Record Version |
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