Structure Database (LMSD)

O HO O OH OH OH O
Common Name
Dorsmanin F
Systematic Name
(+)-7,8-[2''-(1-Hydroxy-1-methylethyl)-dihydrofurano]-6-prenyl-5,3',4'-trihydroxyflavanone
Synonyms
LM ID
LMPK12140391
Formula
C25H28O7
Exact Mass
Calculate m/z
440.183505
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
FMVFFMVMWVSZRC-XJDOXCRVSA-N
InChi (Click to copy)
InChI=1S/C25H28O7/c1-12(2)5-7-14-22(29)21-18(28)11-19(13-6-8-16(26)17(27)9-13)31-24(21)15-10-20(25(3,4)30)32-23(14)15/h5-6,8-9,19-20,26-27,29-30H,7,10-11H2,1-4H3/t19-,20?/m0/s1
SMILES (Click to copy)
C12OC(C(O)(C)C)CC1=C1O[C@H](C3C=CC(O)=C(O)C=3)CC(=O)C1=C(O)C=2C/C=C(/C)\C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Dorstenia mannii (#194258)
Magnoliopsida (#3398)
Prenylated flavanones from the twigs of Dorstenia mannii,
Phytochemistry, 1999

Other Databases

METABOLOMICS ID
FL2FACNF0003
PubChem CID
42607992

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 410.23
Topological Polar Surface Area 120.59
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 4.67
Molar Refractivity 118.77

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Created at
-
Updated at
20th Nov 2023