THEVETIN A

Possibly Marketed Outside US

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H64O19
Molecular Weight	872.9462
Optical Activity	UNSPECIFIED
Defined Stereocenters	23 / 23
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)[C@]1(CC[C@@H](C2)O[C@]6([H])O[C@@H](C)[C@H](O[C@]7([H])O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](OC)[C@@H]6O)C=O

InChI

InChIKey=WPNLWBRKPZXVGD-QMFRUYISSA-N

InChI=1S/C42H64O19/c1-18-35(61-38-33(51)31(49)29(47)26(60-38)16-56-37-32(50)30(48)28(46)25(14-43)59-37)36(54-3)34(52)39(57-18)58-21-6-10-41(17-44)20(13-21)4-5-24-23(41)7-9-40(2)22(8-11-42(24,40)53)19-12-27(45)55-15-19/h12,17-18,20-26,28-39,43,46-53H,4-11,13-16H2,1-3H3/t18-,20+,21-,22+,23-,24+,25+,26+,28+,29+,30-,31-,32+,33+,34-,35-,36-,37+,38-,39-,40+,41+,42-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H64O19
Molecular Weight	872.9462
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	23 / 23
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/141320 | https://www.ncbi.nlm.nih.gov/pubmed/13397252 | https://www.ncbi.nlm.nih.gov/pubmed/13195432
Curator's Comment: Description was created based on several sources, including https://books.google.ru/books?id=HFJWD9bwm9oC&pg=PA150&lpg=PA150&dq=THEVETIN+A+dose retrieved from A Guide to Medicinal Plants: An Illustrated, Scientific and Medicinal Approach Hwee Ling Koh, p. 150

Thevetin A is a steroidal (cardiac) glycoside that has been isolated from the seed kernels. Cardiotonic. It is a Na+-, K+-dependent adenosinetriphosphatase (Na+,K+-ATPase) inhibitor.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Sodium/potassium-transporting ATPase 39 Target ID: CHEMBL2095186 Sources: https://www.ncbi.nlm.nih.gov/pubmed/141320	Inhibitor 8297

Conditions

Condition	Modality	Targets	Highest Phase	Product
Cardiovascular diseases 71 Sources: Koh, H.W., Chua, T.K., Tan, C.H. (2009) A Guide to Medicinal Plants, page 150, retrieved from: https://books.google.ru/books?id=HFJWD9bwm9oC	Primary		Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed

Patents

Sample Use Guides

In Vivo Use Guide

The purified glucoside thevetin (a mixture of thevetin A and thevetin B), extracted from the seeds, is prescribed as a cardiotonic drug in a 0.1% solution orally, in a dose of 1 to 2 ml daily, or in 1 mg/2ml ampoules parenterally

Route of Administration: Other

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:37:17 GMT 2023` Edited by `admin` on `Sat Dec 16 09:37:17 GMT 2023`
Record UNII	788WS2ZR7A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THEVETIN A

Common Name

English

CARD-20(22)-ENOLIDE, 3-((O-.BETA.-D-GLUCOPYRANOSYL-(1->6)-O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-6-DEOXY-3-O-METHYL-.ALPHA.-L-GLUCOPYRANOSYL)OXY)-14-HYDROXY-19-OXO-, (3.BETA.,5.BETA.)-

Systematic Name

English

THEVETIN A [MI]

Common Name

English

Code System Code Type Description

CHEBI

28841