Structure Database (LMSD)

Common Name
7-O-Methylisolupalbigenin
Systematic Name
7-Methyl-5,4'-hydroxy-8,3'-diprenylisoflavone
Synonyms
LM ID
LMPK12050200
Formula
C26H28O5
Exact Mass
Calculate m/z
420.193676
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/
Ulex airensis (#1311270)
Magnoliopsida (#3398)
Flavonoids from Ulex airensis and Ulex europaeus ssp. europaeus,
J Nat Prod, 2002

String Representations

InChiKey (Click to copy)
XOEJOZMFBLQRCB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H28O5/c1-15(2)6-8-18-12-17(9-11-21(18)27)20-14-31-26-19(10-7-16(3)4)23(30-5)13-22(28)24(26)25(20)29/h6-7,9,11-14,27-28H,8,10H2,1-5H3
SMILES (Click to copy)
C1(O)C=C(OC)C(C/C=C(\C)/C)=C2OC=C(C3C=C(C/C=C(\C)/C)C(O)=CC=3)C(=O)C=12

Other Databases

CHEBI ID
187064
METABOLOMICS ID
FLIAAANI0013
PubChem CID
10960780

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 406.13
Topological Polar Surface Area 79.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 6.80
Molar Refractivity 124.18

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Created at
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Updated at
8th Aug 2025