Structure Database (LMSD)

Systematic Name
5-Methoxy-7-prenyloxy-8-C-prenylflavanone
Synonyms
LM ID
LMPK12140174
Formula
C26H30O4
Exact Mass
Calculate m/z
406.21441
Status
Active
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)
KSYDDINMVMFLLB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H30O4/c1-17(2)11-12-20-23(29-14-13-18(3)4)16-24(28-5)25-21(27)15-22(30-26(20)25)19-9-7-6-8-10-19/h6-11,13,16,22H,12,14-15H2,1-5H3
SMILES (Click to copy)
C1(OC/C=C(\C)/C)=C(C/C=C(\C)/C)C2OC(C3C=CC=CC=3)CC(=O)C=2C(OC)=C1

Other Databases

METABOLOMICS ID
FL2FA9NI0011
PubChem CID
42607873

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 410.88
Topological Polar Surface Area 46.83
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 6.54
Molar Refractivity 120.30

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Updated at
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