Structure Database (LMSD)

Common Name
Texasin 7-O-glucoside
Systematic Name
6,7-Dihydroxy-4'-methoxyisoflavone 7-O-glucoside
Synonyms
  • Formononetin 7-O-beta-D-glucoside
LM ID
LMPK12050095
Formula
C22H22O10
Exact Mass
Calculate m/z
446.1213
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Baptisia australis (#149633)
Magnoliopsida (#3398)
Flavonoids of Baptisia australis (Leguminosae),
Phytochemistry, 1967

String Representations

InChiKey (Click to copy)
LEPIDOXLUUYARR-MIUGBVLSSA-N
InChi (Click to copy)
InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-16(14(24)6-12(15)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
SMILES (Click to copy)
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C(O)=CC2C(=O)C(C3C=CC(OC)=CC=3)=COC=2C=1

Other Databases

METABOLOMICS ID
FLIA2AGS0002
PubChem CID
44257243

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 373.80
Topological Polar Surface Area 161.12
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 10
logP 2.97
Molar Refractivity 113.69

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Created at
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Updated at
3rd Jun 2024