Khellin

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Systematic / IUPAC Name: 4,9-Dimethoxy-7-methyl-5H-furo[3,2-g]chromen-5-one

ID: Reference7779

Other Names: Amicardine;
Amikellin;
Amiptan;
Ammicardine;
Ammi-khellin ; more

Formula: C14H12O5

Spectral Data

Khellin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 642
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/16/2018 10:23:55 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3
InChI Key HSMPDPBYAYSOBC-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC
CAS
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Other Names Amicardine;
Amikellin;
Amiptan;
Ammicardine;
Ammi-khellin;
Ammipuran;
Ammispasmin;
Ammivin;
Ammivisnagen;
Benecardin;
Benekardin;
Chellin;
Chellina;
Chorafurone;
Corafurone;
Coronin;
Deltoside;
Eskel;
Gynokhellan;
Gynokhellin;
Hkelfren;
Intercellin;
Interkellin;
Interkhellin;
Kalangin;
Kelamin;
Kelicor;
Kelicorin;
Kelincor;
Kellin;
Kellina;
Kellosal;
Keloid;
Kelourin;
Khelangin;
Khelfren;
Khelisem;
Khell;
Khellamine;
Khellanals;
Khelline;
Khellinorm;
Khelloyd;
Lynamine;
Medekellin;
Mefurina;
Methafrone;
Norkel;
Rykellin;
Simeskellina;
Vasokellina;
Visammimix;
Visammin;
Viscardan;
Viscardin;
Vismagen;
Visnagalin;
Visnagen;
4,9-Dimethoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one;
4,9-Dimethoxy-7-methyl-5-oxo-1,8-dioxabenz[f]indene;
4,9-Dimethoxy-7-methyl-5-oxofuro[3,2-g][1]benzopyran;
4,9-Dimethoxy-7-methyl-5-oxofuro[3,2-g]-1,2-chromene;
4,9-Dimethoxy-7-methylfuro[3,2-g]chromen-5-one;
4,9-Dimethoxy-7-methylpyrano[3,2-f][1]benzoxol-5-one;
5,8-Dimethoxy-2-methyl-4',5'-furano-6,7-chromone;
5,8-Dimethoxy-2-methyl-4',5'-furo-6,7-chromone;
5,8-Dimethoxy-2-methyl-6,7-furanochromone;
5,9-Dimethoxy-2-methylfurano[3,2-g]chromen-4-one;
5H-Furo[3,2-g][1]benzopyran-5-one, 4,9-dimethoxy-7-methyl-

In Other Databases

PubChem 3828
ChemIDPlus 000082020
KEGG C09010
Wikipedia Khellin
ChEBI CHEBI:6133
ChEMBL CHEMBL44746
ChemSpider 3696