Structure Database (LMSD)

Common Name
Dihydroskullcap flavone I
Systematic Name
5,2'-Dihydroxy-7,8-dimethoxyflavanone
Synonyms
LM ID
LMPK12140649
Formula
C17H16O6
Exact Mass
Calculate m/z
316.09469
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)
BTVSNVKVWQGSKK-ZDUSSCGKSA-N
InChi (Click to copy)
InChI=1S/C17H16O6/c1-21-14-8-12(20)15-11(19)7-13(23-17(15)16(14)22-2)9-5-3-4-6-10(9)18/h3-6,8,13,18,20H,7H2,1-2H3/t13-/m0/s1
SMILES (Click to copy)
C1(OC)C(OC)=C2O[C@H](C3C=CC=CC=3O)CC(=O)C2=C(O)C=1

Other Databases

METABOLOMICS ID
FL2FF8NS0007
PubChem CID
12098358

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 278.04
Topological Polar Surface Area 87.29
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 2.82
Molar Refractivity 81.63

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Updated at
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