Structure Database (LMSD)

Common Name
Dorsmanin H
Systematic Name
5,7,3',4'-Tetrahydroxy-6-prenyl-8-(2-hydroxy-3-methylbut-3-enyl)flavanone
Synonyms
LM ID
LMPK12140411
Formula
C25H28O7
Exact Mass
Calculate m/z
440.183505
Status
Curated
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
Dorstenia mannii (#194258)
Magnoliopsida (#3398)
Prenylated flavanones from the twigs of Dorstenia mannii,
Phytochemistry, 1999
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
AZJHCBAWHISFNV-ZYZRXSCRSA-N
InChi (Click to copy)
InChI=1S/C25H28O7/c1-12(2)5-7-15-23(30)16(10-18(27)13(3)4)25-22(24(15)31)20(29)11-21(32-25)14-6-8-17(26)19(28)9-14/h5-6,8-9,18,21,26-28,30-31H,3,7,10-11H2,1-2,4H3/t18?,21-/m0/s1
SMILES (Click to copy)
C1(O)C(CC(C(C)=C)O)=C2O[C@H](C3C=CC(O)=C(O)C=3)CC(=O)C2=C(O)C=1C/C=C(/C)\C

Other Databases

METABOLOMICS ID
FL2FACNI0017
PubChem CID
42607995

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 419.95
Topological Polar Surface Area 129.52
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 4.49
Molar Refractivity 120.03

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Created at
-
Updated at
21st Nov 2023