Structure Database (LMSD)

Common Name
Dioflorin
Systematic Name
(2R)-5,7,2'-Trihydroxy-8-methoxy-6-prenylflavanone
Synonyms
LM ID
LMPK12140642
Formula
C21H22O6
Exact Mass
Calculate m/z
370.14164
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)
DWICVFARTYFNMY-MRXNPFEDSA-N
InChi (Click to copy)
InChI=1S/C21H22O6/c1-11(2)8-9-13-18(24)17-15(23)10-16(12-6-4-5-7-14(12)22)27-20(17)21(26-3)19(13)25/h4-8,16,22,24-25H,9-10H2,1-3H3/t16-/m1/s1
SMILES (Click to copy)
C1(O)C(OC)=C2O[C@@H](C3C=CC=CC=3O)CC(=O)C2=C(O)C=1C/C=C(/C)\C

Other Databases

METABOLOMICS ID
FL2FF8NI0001
PubChem CID
177421

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 344.60
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.03
Molar Refractivity 99.88

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Updated at
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