U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H27NO5
Molecular Weight 313.3893
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HELIOTRINE

SMILES

[H][C@@]12[C@@H](O)CCN1CC=C2COC(=O)[C@](O)(C(C)C)[C@@H](C)OC

InChI

InChIKey=LMFKRLGHEKVMNT-UJDVCPFMSA-N
InChI=1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11-,13+,14-,16+/m1/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Name Type Language
HELIOTRINE
Common Name English
BUTANOIC ACID, 2-HYDROXY-2-(1-METHOXYETHYL)-3-METHYL-, (2,3,5,7A-TETRAHYDRO-1-HYDROXY-1H-PYRROLIZIN-7-YL)METHYL ESTER, (1S-(1.ALPHA.,7(R*(S*)),7A.ALPHA.))-
Systematic Name English
BUTANOIC ACID, 2-HYDROXY-2-((1R)-1-METHOXYETHYL)-3-METHYL-, ((1S,7AR)-2,3,5,7A-TETRAHYDRO-1-HYDROXY-1H-PYRROLIZIN-7-YL)METHYL ESTER, (2S)-
Systematic Name English
(+)-HELIOTRINE
Common Name English
HELIOTRINE, (+)-
Common Name English
7S-HELIOTRINE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID3075381
Created by admin on Sat Dec 16 07:52:50 GMT 2023 , Edited by admin on Sat Dec 16 07:52:50 GMT 2023
PRIMARY
CAS
303-33-3
Created by admin on Sat Dec 16 07:52:50 GMT 2023 , Edited by admin on Sat Dec 16 07:52:50 GMT 2023
PRIMARY
FDA UNII
ZYB88Y4FUZ
Created by admin on Sat Dec 16 07:52:50 GMT 2023 , Edited by admin on Sat Dec 16 07:52:50 GMT 2023
PRIMARY
PUBCHEM
906426
Created by admin on Sat Dec 16 07:52:50 GMT 2023 , Edited by admin on Sat Dec 16 07:52:50 GMT 2023
PRIMARY