Structure Database (LMSD)

Common Name
Macaflavone I
Systematic Name
Synonyms
LM ID
LMPK12111564
Formula
C25H24O6
Exact Mass
Calculate m/z
420.15729
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)
NRGDUDNBWFMMIW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O6/c1-13(2)5-7-16-22-15(9-10-25(3,4)31-22)11-17-20(28)21(29)23(30-24(16)17)14-6-8-18(26)19(27)12-14/h5-6,8-12,26-27,29H,7H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=CC1C(=O)C(O)=C(C3C=C(O)C(O)=CC=3)OC=1C=2C/C=C(\C)/C

Other Databases

CHEBI ID
178563
METABOLOMICS ID
FL5F1CNP0002
PubChem CID
44258685

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 385.26
Topological Polar Surface Area 102.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 6.46
Molar Refractivity 120.41

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Updated at
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