ISOVELLERAL

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H20O2
Molecular Weight	232.3181
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOVELLERAL

Structure Search

SMILES

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

InChI

InChIKey=PJAAESPGJOSQGZ-DZGBDDFRSA-N

InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

Title	Date	PubMed
TRPA1 mediates the noxious effects of natural sesquiterpene deterrents.	2008 Aug 29	18550530

Patents

Patents

Name

Type

Language

ISOVELLERAL

Common Name

English

CYCLOPROP(E)INDENE-1A,2(1H)-DICARBOXALDEHYDE, 3A,4,5,6,6A,6B-HEXAHYDRO-5,5,6B-TRIMETHYL-, (1AS-(1A-.ALPHA.,3A-.BETA.,6A-.BETA.,6B-.ALPHA.))-

Systematic Name

English

NSC-299922

Code

English

Code System Code Type Description

FDA UNII

475W04BXJ7

Created by admin on Fri Dec 15 17:45:45 GMT 2023 , Edited by admin on Fri Dec 15 17:45:45 GMT 2023

PRIMARY

CAS

37841-91-1

Created by admin on Fri Dec 15 17:45:45 GMT 2023 , Edited by admin on Fri Dec 15 17:45:45 GMT 2023

PRIMARY

PUBCHEM

37839

Created by admin on Fri Dec 15 17:45:45 GMT 2023 , Edited by admin on Fri Dec 15 17:45:45 GMT 2023

PRIMARY

EPA CompTox

DTXSID201032002

Created by admin on Fri Dec 15 17:45:45 GMT 2023 , Edited by admin on Fri Dec 15 17:45:45 GMT 2023

PRIMARY

NSC

299922

Created by admin on Fri Dec 15 17:45:45 GMT 2023 , Edited by admin on Fri Dec 15 17:45:45 GMT 2023

PRIMARY

SUBSTANCE RECORD


					475W04BXJ7