Structure Database (LMSD)

Common Name
Macaflavone II
Systematic Name
Synonyms
LM ID
LMPK12111565
Formula
C26H26O6
Exact Mass
Calculate m/z
434.17294
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]
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)
TVRDYVMRUJAIJL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H26O6/c1-14(2)6-8-17-22-16(10-11-26(3,4)32-22)12-18-21(29)25(30-5)23(31-24(17)18)15-7-9-19(27)20(28)13-15/h6-7,9-13,27-28H,8H2,1-5H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=CC1C(=O)C(OC)=C(C3C=C(O)C(O)=CC=3)OC=1C=2C/C=C(\C)/C

Other Databases

METABOLOMICS ID
FL5F1CNP0003
PubChem CID
44258686

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 402.56
Topological Polar Surface Area 91.20
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 6.76
Molar Refractivity 125.30

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Updated at
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