Structure Database (LMSD)

Common Name
Maximaisoflavone A
Systematic Name
6-C-Prenyl-6",6"-dimethylpyrano[2",3":7,8]isoflavone
Synonyms
LM ID
LMPK12050139
Formula
C17H10O6
Exact Mass
Calculate m/z
310.04774
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Tephrosia maxima (#2785040)
Magnoliopsida (#3398)
Constitution and synthesis of maxima isoflavones-A and -A,
Tetrahedron, 1962

String Representations

InChiKey (Click to copy)
HDEHMKSXXSBSHM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H10O6/c18-15-10-2-4-13-17(23-8-21-13)16(10)19-6-11(15)9-1-3-12-14(5-9)22-7-20-12/h1-6H,7-8H2
SMILES (Click to copy)
C12OCOC=1C1OC=C(C3C=CC4OCOC=4C=3)C(=O)C=1C=C2

Other Databases

CHEBI ID
196312
METABOLOMICS ID
FLIA3CNS0001
PubChem CID
343079

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 5
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 239.78
Topological Polar Surface Area 75.41
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.82
Molar Refractivity 80.27

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Created at
-
Updated at
4th Jul 2025