Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C15H22O3 |
Molecular Weight | 250.3334 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12[C@H](O)CC(C)=C1[C@@H](CC[C@H]2C)\C=C(/C)C(O)=O
InChI
InChIKey=XJNQXTISSHEQKD-UNXUOHHUSA-N
InChI=1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+/t8-,11+,12-,14+/m1/s1
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/23195845Curator's Comment: description was created based on several sources, including:
https://simonsblogpark.com/legalhigh/simons-valerian-valeriana-officinalis-guide/ | http://www.webmd.com/vitamins-supplements/ingredientmono-870-valerian.aspx?activeingredientid=870
Sources: https://www.ncbi.nlm.nih.gov/pubmed/23195845
Curator's Comment: description was created based on several sources, including:
https://simonsblogpark.com/legalhigh/simons-valerian-valeriana-officinalis-guide/ | http://www.webmd.com/vitamins-supplements/ingredientmono-870-valerian.aspx?activeingredientid=870
Valerian is on the FDA’s list of substances that are generally recognised to be safe (GRAS). The root oil and extracts may be used as spice or seasoning. Valerian is most commonly used for sleep disorders. The essential oil of valerian contains a variety of compounds including valerenic acid and its derivatives, hydroxyvalerenic acid, acetoxyvalerenic acid and valerenal.
CNS Activity
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL2109243 |
|||
Target ID: CHEMBL234 Sources: http://www.google.tl/patents/US20020064569 |
800.0 µM [EC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Palliative | Unknown Approved UseUnknown |
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Palliative | Valerian Approved UseValerian has been used in alternative medicine as a possibly effective aid in treating sleep problems (insomnia). |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/20878691
300 mg valerian daily (where Hydroxyvalerenic acid is about 240 ug)
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/23195845
Hydroxyvalerenic acid, which is characteristic for V. officinalis, has a low cytotoxicity with IC(50) values 123 uM for GLC4 cell line and 165 uM for COLO320 cell line.
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SUBSTANCE RECORD