HELIOTRINE

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 Search

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

Molecular Formula	C16H27NO5
Molecular Weight	313.3893
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Calf thymus DNA 1 Target ID: CHEMBL612514 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18395999	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:52:50 GMT 2023` Edited by `admin` on `Sat Dec 16 07:52:50 GMT 2023`
Record UNII	ZYB88Y4FUZ
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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

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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

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