Icaritin

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Systematic / IUPAC Name: 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one

ID: Reference763

Other Names: 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-;
Anhydroicaritin

Formula: C21H20O6

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

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

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 75
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/5/2015 10:09:58 AM
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Identificators

InChI InChI=1S/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3
InChI Key TUUXBSASAQJECY-UHFFFAOYSA-N
Canonical SMILES
CAS 118525409
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Other Names 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-;
Anhydroicaritin

In Other Databases

PubChem 5318980
ChEMBL CHEMBL498485
ChemSpider 4477409
ChemIDPlus 118525409