Structure Database (LMSD)

Common Name
Morusinol
Systematic Name
2-(2,4-Dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
Synonyms
  • Oxydihydromorusin
LM ID
LMPK12110919
Formula
C25H26O7
Exact Mass
Calculate m/z
438.167856
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Morus alba (#3498)
Magnoliopsida (#3398)
Studies on the Constituents of the Cultivated Mulberry Tree. III. Isolation of Four New Flavones, Kuwanon A, B, C and Oxydihydromorusin from the Root Bark of Morus alba L.,
Chem Pharm Bull (Tokyo), 1978

String Representations

InChiKey (Click to copy)
AFOKZNPZDXHDHD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O7/c1-24(2,30)9-7-16-21(29)20-18(28)12-19-15(8-10-25(3,4)32-19)23(20)31-22(16)14-6-5-13(26)11-17(14)27/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(C3C(O)=CC(O)=CC=3)=C(CCC(O)(C)C)C(=O)C=1C(O)=C2

Other Databases

HMDB ID
HMDB0030620
CHEBI ID
175531
METABOLOMICS ID
FL3FALNP0008
PubChem CID
5481968

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 396.69
Topological Polar Surface Area 122.43
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 5.94
Molar Refractivity 122.41

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Created at
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Updated at
6th May 2025