Nobiletin

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Systematic / IUPAC Name: 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one

ID: Reference6142

Other Names: 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one;
2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;
3,4,5,6,7,8-Hexamethoxyflavone;
3',4',5,6,7,8-Hexamethoxyflavone;
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy- ; more

Formula: C21H22O8

Class: Endogenous Metabolites

Spectral Data

Nobiletin 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 Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 9895
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8, MS9
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/2/2016 12:51:02 PM
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Identificators

InChI InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
InChI Key MRIAQLRQZPPODS-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC
CAS 478013
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Other Names 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one;
2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;
3,4,5,6,7,8-Hexamethoxyflavone;
3',4',5,6,7,8-Hexamethoxyflavone;
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-;
5,6,7,8,3',4'-Hexamethoxyflavone;
Flavone, 5,6,7,8,3',4'-hexamethoxy

In Other Databases

ChEMBL CHEMBL76447
ChemIDPlus 000478013
Wikipedia Nobiletin
KEGG C10112
PubChem 72344
ChemSpider 65283
HMDb HMDB29540
ChEBI CHEBI:7602