ACEVALTRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H32O10
Molecular Weight	480.5049
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)CC(=O)O[C@@H]1OC=C(COC(C)=O)C2=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]3(CO3)[C@@H]12

InChI

InChIKey=FWKBQAVMKVZEOT-STCFVSJZSA-N

InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H32O10
Molecular Weight	480.5049
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21567360 | https://www.ncbi.nlm.nih.gov/pubmed/12502349

Acevaltrate is an iridoid found in variable amounts in Valerianaceae and might be among the bioactive compounds which confer anxiolytic properties to the Valeriana species. Acevaltrate inhibited total H⁺/K⁺-ATPase activity (60.7 ± 7.3 %) from rat gastric epithelium. Acevaltrate inhibited Na⁺/K⁺-ATPase with IC₅₀ value of 22.8 uM. Na⁺/K⁺-ATPase might be one of their molecular targets of Acevaltrate in vivo.

Approval Year

PubMed

Title	Date	PubMed
In vitro effect of valepotriates isolated from Valeriana glechomifolia on rat P-type ATPases.	2011-10	21567360
Iridoids from the rhizomes and roots of Valeriana jatamansi.	2002-12	12502349

Patents

Sample Use Guides

In Vitro Use Guide

Valepotriates of the diene type (valtrate, isovaltrate and acevaltrate) displayed the highest cytotoxicity, with IC50 values of 1-6 uM, following continuous incubation.

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:50:10 GMT 2025` Edited by `admin` on `Wed Apr 02 07:50:10 GMT 2025`
Record UNII	S9MFK45GY9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUTANOIC ACID, 3-(ACETYLOXY)-3-METHYL-, (1S,2'R,6S,7AS)-4-((ACETYLOXY)METHYL)-6,7A-DIHYDRO-1-(3-METHYL-1-OXOBUTOXY)SPIRO(CYCLOPENTA(C)PYRAN-7(1H),2'-OXIRAN)-6-YL ESTER

Preferred Name

English

ACEVALTRATE

Official Name

English

ACEVALTRATE [MART.]

Common Name

English

1,7A-DIHYDRO-1,6-DIHYDROXYSPIRO(CYCLOPENTA(C)PYRAN-7(6H), 2'-OXIRANE)-4-METHANOL 4-ACETATE 1(OR 6)-ISOVALERATE 6(OR 1)-(3-HYDROXY-3-METHYLBUTYRATE, ACETATE)

Common Name

English

acevaltrate [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29756