Structure Database (LMSD)

Common Name
Burttinone
Systematic Name
5,7-Dihydroxy-4'-methoxy-3'-prenyl-5'-[(3-methyl-2-butenyl)phenyl]flavanone
Synonyms
LM ID
LMPK12140350
Formula
C26H30O6
Exact Mass
Calculate m/z
438.20424
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
BOBWTYODGOYWRC-UVIRAJKCSA-N
InChi (Click to copy)
InChI=1S/C26H30O6/c1-15(2)6-7-16-10-18(11-17(25(16)31-5)8-9-26(3,4)30)22-14-21(29)24-20(28)12-19(27)13-23(24)32-22/h6,8-13,22,27-28,30H,7,14H2,1-5H3/b9-8+/t22-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3C=C(/C=C/C(C)(C)O)C(OC)=C(C/C=C(/C)\C)C=3)CC(=O)C2=C(O)C=1

Other Databases

METABOLOMICS ID
FL2FABNI0009
PubChem CID
42607959

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 428.46
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.39
Molar Refractivity 124.06

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Updated at
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