Structure Database (LMSD)

Common Name
2'-Methoxylupalbigenin
Systematic Name
5,7,4'-Trihydroxy-2'-methoxy-6,3'-diprenylisoflavone
Synonyms
LM ID
LMPK12050293
Formula
C26H28O6
Exact Mass
Calculate m/z
436.18859
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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/

String Representations

InChiKey (Click to copy)
QAVJDDXEMMJOSR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H28O6/c1-14(2)6-8-17-21(28)12-22-23(24(17)29)25(30)19(13-32-22)16-10-11-20(27)18(26(16)31-5)9-7-15(3)4/h6-7,10-13,27-29H,8-9H2,1-5H3
SMILES (Click to copy)
C1(O)C(C/C=C(\C)/C)=C(O)C2C(=O)C(C3=C(OC)C(C/C=C(/C)\C)=C(O)C=C3)=COC=2C=1

Other Databases

METABOLOMICS ID
FLIAALNI0008
PubChem CID
44257315

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 414.92
Topological Polar Surface Area 100.13
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 6.50
Molar Refractivity 125.84

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Updated at
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