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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30O8
Molecular Weight 422.4688
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VALTRATE

SMILES

[H][C@]12[C@H](OC(=O)CC(C)C)OC=C(COC(C)=O)C1=C[C@H](OC(=O)CC(C)C)[C@]23CO3

InChI

InChIKey=BDIAUFOIMFAIPU-KVJIRVJXSA-N
InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1

HIDE SMILES / InChI

Description

Valtrate is a principle compound isolated from Valeriana jatamansi Jones, which is a Traditional Chinese Medicine used to treat various mood disorders. Valtrate at a high dose has been found to have sedative properties by inhibiting spontaneous motion and increasing the sleeping number induced by pentobarbital sodium in mice. In rats valtrate exhibits anxiolytic-like profiles in the elevated plus maze test and the open field test. Valtrate attenuated HPA axis activity by reducing the corticosterone level. Valtrate also possesses anti-breast cancer activities via cell cycle arrest, apoptosis, and inhibition of cell migration, thus supporting valtrate as a potential antitumor agent.

CNS Activity

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
21.2 µM [IC50]
19.4 µM [IC50]

PubMed

Sample Use Guides

In Vivo Use Guide
Rats were orally administered valtrate (5, 10, and 20 g/kg daily) for 10 days and exposed to open field test (OFT) and elevated plus-maze (EPM). Valtrate (10 mg/kg, p.o.) exhibited the anxiolytic effect in rats by increasing the time and entry percentage into the open arms in the EPM and the number of central entries in the OFT. Valtrate (10 mg/kg, p.o.) significantly reduced the corticosterone level in the rat serum.
Route of Administration: Oral
In Vitro Use Guide
Valtrate (100 uM) inhibited roughly half of the total H⁺/K⁺-ATPase activity from rat gastric epithelium (valtrate 54.6 ± 3.2 %). Valtrate showed the highest inhibitory potency toward Na⁺/K⁺-ATPase, and the inhibition curves obtained provided a similar IC₅₀ for rat kidney α1 isoform (21.2 uM) and brain hemispheres α2/ α3 isoforms (19.4 uM).