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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30O8
Molecular Weight 422.4697
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VALTRATE

SMILES

CC(C)CC(=O)O[C@@]1([H])C=C2C(=CO[C@]([H])([C@]2([H])[C@]31CO3)OC(=O)CC(C)C)COC(=O)C

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

Molecular Formula C22H30O8
Molecular Weight 422.4697
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

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.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: O14980
Gene ID: 7514.0
Gene Symbol: XPO1
Target Organism: Homo sapiens (Human)
Target ID: P05023|||Q9UJ20
Gene ID: 476.0
Gene Symbol: ATP1A1
Target Organism: Homo sapiens (Human)
21.2 µM [IC50]
19.4 µM [IC50]
PubMed

PubMed

TitleDatePubMed
Concise synthesis of 5,6-dihydrovaltrate leading to enhanced Rev-export inhibitory congener.
2010 Aug 15

Sample Use Guides

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
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).
Substance Class Chemical
Created
by admin
on Sat Jun 26 15:51:28 UTC 2021
Edited
by admin
on Sat Jun 26 15:51:28 UTC 2021
Record UNII
L3JQ035X9B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VALTRATE
INN   MART.   WHO-DD  
INN  
Official Name English
BUTANOIC ACID, 3-METHYL-, 4-((ACETYLOXY)METHYL)-6,7A-DIHYDROSPIRO(CYCLOPENTA-(C)PYRAN-7(1H),2'-OXIRANE)-1,6-DIYL ESTER, (1S-(1-.ALPHA.,6-.ALPHA,,7- .BETA.,7A-.ALPHA.))-
Common Name English
VALTRATE [WHO-DD]
Common Name English
VALEPOTRIATE
Common Name English
VALTRATE [MART.]
Common Name English
VALTRATE [INN]
Common Name English
HALAZUCHROME B
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29756
Created by admin on Sat Jun 26 15:51:28 UTC 2021 , Edited by admin on Sat Jun 26 15:51:28 UTC 2021
Code System Code Type Description
RXCUI
236857
Created by admin on Sat Jun 26 15:51:28 UTC 2021 , Edited by admin on Sat Jun 26 15:51:28 UTC 2021
PRIMARY RxNorm
NCI_THESAURUS
C152823
Created by admin on Sat Jun 26 15:51:28 UTC 2021 , Edited by admin on Sat Jun 26 15:51:28 UTC 2021
PRIMARY
INN
2188
Created by admin on Sat Jun 26 15:51:28 UTC 2021 , Edited by admin on Sat Jun 26 15:51:28 UTC 2021
PRIMARY
MESH
C030127
Created by admin on Sat Jun 26 15:51:28 UTC 2021 , Edited by admin on Sat Jun 26 15:51:28 UTC 2021
PRIMARY
ECHA (EC/EINECS)
242-174-2
Created by admin on Sat Jun 26 15:51:28 UTC 2021 , Edited by admin on Sat Jun 26 15:51:28 UTC 2021
PRIMARY
PUBCHEM
442436
Created by admin on Sat Jun 26 15:51:28 UTC 2021 , Edited by admin on Sat Jun 26 15:51:28 UTC 2021
PRIMARY
ChEMBL
CHEMBL402061
Created by admin on Sat Jun 26 15:51:28 UTC 2021 , Edited by admin on Sat Jun 26 15:51:28 UTC 2021
PRIMARY
FDA UNII
L3JQ035X9B
Created by admin on Sat Jun 26 15:51:28 UTC 2021 , Edited by admin on Sat Jun 26 15:51:28 UTC 2021
PRIMARY
CAS
18296-44-1
Created by admin on Sat Jun 26 15:51:28 UTC 2021 , Edited by admin on Sat Jun 26 15:51:28 UTC 2021
PRIMARY
EVMPD
SUB00019MIG
Created by admin on Sat Jun 26 15:51:28 UTC 2021 , Edited by admin on Sat Jun 26 15:51:28 UTC 2021
PRIMARY
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