Structure Database (LMSD)

O O OH OH O O
Common Name
Dorsmanin E
Systematic Name
3',4'-Dihydroxy-bis(6'',6''-dimethyldihydropyrano[2'',3'':5,6][2'',3'':7,8])flavanone
Synonyms
LM ID
LMPK12140427
Formula
C25H28O6
Exact Mass
Calculate m/z
424.18859
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)
JZNUJZPOJAHBOH-IBGZPJMESA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-24(2)9-7-14-21(30-24)15-8-10-25(3,4)31-23(15)20-18(28)12-19(29-22(14)20)13-5-6-16(26)17(27)11-13/h5-6,11,19,26-27H,7-10,12H2,1-4H3/t19-/m0/s1
SMILES (Click to copy)
C12OC(C)(C)CCC=1C1O[C@H](C3C=CC(O)=C(O)C=3)CC(=O)C=1C1OC(C)(C)CCC2=1

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
FL2FACNP0010
PubChem CID
42608003

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 391.72
Topological Polar Surface Area 91.43
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 5.58
Molar Refractivity 115.61

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Created at
-
Updated at
21st Nov 2023