Structure Database (LMSD)

Common Name
3'-Methoxyglabridin
Systematic Name
Synonyms
LM ID
LMPK12080018
Formula
C21H22O5
Exact Mass
Calculate m/z
354.146725
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavans [PK1208]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
SBQBKTSYEKPBJF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O5/c1-21(2)9-8-15-17(26-21)7-4-12-10-13(11-25-19(12)15)14-5-6-16(22)20(24-3)18(14)23/h4-9,13,22-23H,10-11H2,1-3H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OCC(C3C=CC(O)=C(OC)C=3O)CC=1C=C2

Other Databases

METABOLOMICS ID
FLIC1LNP0007
PubChem CID
5319439

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 326.09
Topological Polar Surface Area 72.29
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 4.58
Molar Refractivity 99.45

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Updated at
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