KHELLINONE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H12O5
Molecular Weight	236.2207
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of KHELLINONE

Structure Search

SMILES

COC1=C2OC=CC2=C(OC)C(C(C)=O)=C1O

InChI

InChIKey=GEUAWNMVARSYHO-UHFFFAOYSA-N

InChI=1S/C12H12O5/c1-6(13)8-9(14)12(16-3)11-7(4-5-17-11)10(8)15-2/h4-5,14H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C12H12O5
Molecular Weight	236.2207
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:58:31 GMT 2025` Edited by `admin` on `Tue Apr 01 16:58:31 GMT 2025`
Record UNII	VJ1360YWR9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

KHELLINONE

Common Name

English

6-HYDROXY-4,7-DIMETHOXYBENZOFURAN-5-YL METHYL KETONE

Preferred Name

English

ETHANONE, 1-(6-HYDROXY-4,7-DIMETHOXY-5-BENZOFURANYL)-

Systematic Name

English

5-ACETYL-6-HYDROXYBENZOFURAN-4.7-DIONE

Systematic Name

English

Code System Code Type Description

CAS

484-51-5

Created by admin on Tue Apr 01 16:58:31 GMT 2025 , Edited by admin on Tue Apr 01 16:58:31 GMT 2025

PRIMARY

EPA CompTox

DTXSID70197512

Created by admin on Tue Apr 01 16:58:31 GMT 2025 , Edited by admin on Tue Apr 01 16:58:31 GMT 2025

PRIMARY

FDA UNII

VJ1360YWR9

Created by admin on Tue Apr 01 16:58:31 GMT 2025 , Edited by admin on Tue Apr 01 16:58:31 GMT 2025

PRIMARY

PUBCHEM

68086

Created by admin on Tue Apr 01 16:58:31 GMT 2025 , Edited by admin on Tue Apr 01 16:58:31 GMT 2025

PRIMARY

ECHA (EC/EINECS)

207-607-1

Created by admin on Tue Apr 01 16:58:31 GMT 2025 , Edited by admin on Tue Apr 01 16:58:31 GMT 2025

PRIMARY

Related Record Type Details


					3UN285QN0C

VISNAGA DAUCOIDES FRUIT

PARENT -> CONSTITUENT ALWAYS PRESENT