Structure Database (LMSD)

Common Name
Dorsmanin B
Systematic Name
Bis(6'',6''-dimethyldihydropyrano[2'',3'':7,6][2'',3'':4',3'])flavanone
Synonyms
LM ID
LMPK12140060
Formula
C25H28O4
Exact Mass
Calculate m/z
392.19876
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)
NGPBIRAXWXZMOD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O4/c1-24(2)9-7-16-11-15(5-6-20(16)28-24)21-13-19(26)18-12-17-8-10-25(3,4)29-22(17)14-23(18)27-21/h5-6,11-12,14,21H,7-10,13H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)CCC1=CC1C(=O)CC(C3C=CC4OC(C)(C)CCC=4C=3)OC=1C=2

Other Databases

METABOLOMICS ID
FL2F1ANP0011
PubChem CID
10524567

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 5
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 374.14
Topological Polar Surface Area 50.97
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 6.17
Molar Refractivity 112.28

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Updated at
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