Structure Database (LMSD)
Common Name
1-Methoxyphaseollidin
Systematic Name
3,9-Dihydroxy-1-methoxy-10-prenylpterocarpan
Synonyms
3D model of 1-Methoxyphaseollidin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
YKTZRMXYANFKQR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O5/c1-11(2)4-5-14-16(23)7-6-13-15-10-25-18-9-12(22)8-17(24-3)19(18)21(15)26-20(13)14/h4,6-9,15,21-23H,5,10H2,1-3H3
SMILES (Click to copy)
C1(O)C=C(OC)C2C3OC4=C(C/C=C(/C)\C)C(O)=CC=C4C3COC=2C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
4
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
326.09
Topological Polar Surface Area
72.29
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
4.51
Molar Refractivity
98.00
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Updated at
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