ISOVELLERAL

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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

C[C@]12C[C@@]1(C=O)C(C=O)=C[C@@H]3CC(C)(C)C[C@H]23

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.	2008-08-29	18550530

Patents

Patents

Name

Type

Language

NSC-299922

Preferred Name

English

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

Code System Code Type Description

FDA UNII

475W04BXJ7

Created by admin on Mon Mar 31 18:51:42 GMT 2025 , Edited by admin on Mon Mar 31 18:51:42 GMT 2025

PRIMARY

CAS

37841-91-1

Created by admin on Mon Mar 31 18:51:42 GMT 2025 , Edited by admin on Mon Mar 31 18:51:42 GMT 2025

PRIMARY

PUBCHEM

37839

Created by admin on Mon Mar 31 18:51:42 GMT 2025 , Edited by admin on Mon Mar 31 18:51:42 GMT 2025

PRIMARY

EPA CompTox

DTXSID201032002

Created by admin on Mon Mar 31 18:51:42 GMT 2025 , Edited by admin on Mon Mar 31 18:51:42 GMT 2025

PRIMARY

NSC

299922

Created by admin on Mon Mar 31 18:51:42 GMT 2025 , Edited by admin on Mon Mar 31 18:51:42 GMT 2025

PRIMARY

SUBSTANCE RECORD


					475W04BXJ7