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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
Structure of HYDROXYVALERENIC ACID

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

HIDE SMILES / InChI

Molecular Formula C15H22O3
Molecular Weight 250.3334
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Description
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.

Approval Year

TargetsConditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Palliative
Unknown

Approved Use

Unknown
Palliative
Valerian

Approved Use

Valerian has been used in alternative medicine as a possibly effective aid in treating sleep problems (insomnia).
PubMed

PubMed

TitleDatePubMed
Patents

Sample Use Guides

300 mg valerian daily (where Hydroxyvalerenic acid is about 240 ug)
Route of Administration: Oral
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.
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:46:35 UTC 2023
Edited
by admin
on Sat Dec 16 09:46:35 UTC 2023
Record UNII
043W90DL5F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROXYVALERENIC ACID
Common Name English
HYDROXYVALERENIC ACID (CONSTITUENT OF VALERIAN) [DSC]
Common Name English
VALERENOLIC ACID
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID8033564
Created by admin on Sat Dec 16 09:46:35 UTC 2023 , Edited by admin on Sat Dec 16 09:46:35 UTC 2023
PRIMARY
PUBCHEM
6537505
Created by admin on Sat Dec 16 09:46:35 UTC 2023 , Edited by admin on Sat Dec 16 09:46:35 UTC 2023
PRIMARY
FDA UNII
043W90DL5F
Created by admin on Sat Dec 16 09:46:35 UTC 2023 , Edited by admin on Sat Dec 16 09:46:35 UTC 2023
PRIMARY
CAS
1619-16-5
Created by admin on Sat Dec 16 09:46:35 UTC 2023 , Edited by admin on Sat Dec 16 09:46:35 UTC 2023
PRIMARY
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