Structure Database (LMSD)

Systematic Name
5,4'-Dihydroxy-3,7,3'-trimethoxy-8-prenylflavone
Synonyms
LM ID
LMPK12112745
Formula
C23H24O7
Exact Mass
Calculate m/z
412.152205
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
PXSHTLGJABJXLY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H24O7/c1-12(2)6-8-14-17(27-3)11-16(25)19-20(26)23(29-5)21(30-22(14)19)13-7-9-15(24)18(10-13)28-4/h6-7,9-11,24-25H,8H2,1-5H3
SMILES (Click to copy)
C1(OC)=C(C/C=C(\C)/C)C2OC(C3C=C(OC)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FDDNI0005
PubChem CID
44259690

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 374.45
Topological Polar Surface Area 98.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 5.31
Molar Refractivity 114.15

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Updated at
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