Structure Database (LMSD)

Common Name
Maximaisoflavone C
Systematic Name
2'-Methoxy-4',5'-methylenedioxy-7-prenyloxyisoflavone
Synonyms
LM ID
LMPK12050068
Formula
C22H20O6
Exact Mass
Calculate m/z
380.12599
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)
Über die Konstitution der Maxima-Substanz C,
Arch Pharm (Weinheim), 1959

String Representations

InChiKey (Click to copy)
HIMSTRVEHVBQCS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H20O6/c1-13(2)6-7-25-14-4-5-15-19(8-14)26-11-17(22(15)23)16-9-20-21(28-12-27-20)10-18(16)24-3/h4-6,8-11H,7,12H2,1-3H3
SMILES (Click to copy)
C1(OC/C=C(\C)/C)=CC2OC=C(C3C=C4OCOC4=CC=3OC)C(=O)C=2C=C1

Other Databases

METABOLOMICS ID
FLIA1LNI0001
PubChem CID
343080

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 336.00
Topological Polar Surface Area 71.27
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 5.73
Molar Refractivity 106.12

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Created at
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Updated at
26th Jul 2025