Structure Database (LMSD)

Common Name
Sandwicensin
Systematic Name
3-Hydroxy-9-methoxy-10-prenylpterocarpan
Synonyms
LM ID
LMPK12070013
Formula
Exact Mass
Calculate m/z
338.15181
Status
Curated

Classification

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
ZFUZIYGRFSXEIQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O4/c1-12(2)4-6-15-18(23-3)9-8-14-17-11-24-19-10-13(22)5-7-16(19)21(17)25-20(14)15/h4-5,7-10,17,21-22H,6,11H2,1-3H3
SMILES (Click to copy)
C1(O)C=CC2C3OC4=C(C/C=C(/C)\C)C(OC)=CC=C4C3COC=2C=1

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 317.30
Topological Polar Surface Area 52.06
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.80
Molar Refractivity 96.33

Admin

Created at
-
Updated at
-