Neobavaisoflavone

enlarge

Systematic / IUPAC Name: 7-Hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4H-chromen-4-one

ID: Reference7759

Other Names: 3'-Prenyldaidzein;
4H-1-Benzopyran-4-one,7-hydroxy-3-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-;
7,4'-Dihydroxy-3'-(γ,γ-dimethylallyl)isoflavone;
7,4'-Dihydroxy-3'-(3-methyl-buten-2-yl)isoflavone;
7-Hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4H-1-benzopyran-4-one

Formula: C20H18O4

Spectral Data

Neobavaisoflavone 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 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/11/2018 1:27:07 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H18O4/c1-12(2)3-4-14-9-13(5-8-18(14)22)17-11-24-19-10-15(21)6-7-16(19)20(17)23/h3,5-11,21-22H,4H2,1-2H3
InChI Key OBGPEBYHGIUFBN-UHFFFAOYSA-N
Canonical SMILES CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)C
CAS 41060155
Splash
Other Names 3'-Prenyldaidzein;
4H-1-Benzopyran-4-one,7-hydroxy-3-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-;
7,4'-Dihydroxy-3'-(γ,γ-dimethylallyl)isoflavone;
7,4'-Dihydroxy-3'-(3-methyl-buten-2-yl)isoflavone;
7-Hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4H-1-benzopyran-4-one;
7-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one

In Other Databases

ChemSpider 4478223
PubChem 5320053
ChEMBL CHEMBL512693
ChEBI CHEBI:66614