Structure Database (LMSD)

Systematic Name
3',4'-Dihydroxy-7-methoxy-8-prenyl-5''-(2-hydroxyisopropyl)-[2'',3'':5,6]furanoflavanone
Synonyms
LM ID
LMPK12140577
Formula
C23H22O6
Exact Mass
Calculate m/z
394.14164
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)
POMYWCNEUNRBFJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H22O6/c1-12(2)4-6-14-21(27-3)15-8-9-28-22(15)20-18(26)11-19(29-23(14)20)13-5-7-16(24)17(25)10-13/h4-5,7-10,19,24-25H,6,11H2,1-3H3
SMILES (Click to copy)
C1(OC)=C(C/C=C(/C)\C)C2OC(C3C=CC(O)=C(O)C=3)CC(=O)C=2C2OC=CC1=2

Other Databases

METABOLOMICS ID
FL2FCCNF0002
PubChem CID
12019200

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 353.30
Topological Polar Surface Area 91.20
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 5.07
Molar Refractivity 107.99

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Updated at
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