Structure Database (LMSD)

Common Name
2,8-Dihydroxy-3,4,9,10-tetramethoxypterocarpan
Systematic Name
Synonyms
LM ID
LMPK12070091
Formula
C19H20O8
Exact Mass
Calculate m/z
376.11582
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
OADZLSQNPZPBEF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O8/c1-22-16-12(21)6-9-13-10(7-26-14(9)18(16)24-3)8-5-11(20)17(23-2)19(25-4)15(8)27-13/h5-6,10,13,20-21H,7H2,1-4H3
SMILES (Click to copy)
C1(OC)C(O)=CC2C3OC4=C(OC)C(OC)=C(O)C=C4C3COC=2C=1OC

Other Databases

CHEBI ID
186511
METABOLOMICS ID
FLID4GNS0001
PubChem CID
44257465

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 320.50
Topological Polar Surface Area 99.98
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 3.03
Molar Refractivity 94.52

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Updated at
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