Structure Database (LMSD)
Common Name
2-Methoxyhomopterocarpin
Systematic Name
Synonyms
3D model of 2-Methoxyhomopterocarpin
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)
XCRBPIBUMBLGCZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O5/c1-19-10-4-5-11-13-9-22-14-8-17(21-3)16(20-2)7-12(14)18(13)23-15(11)6-10/h4-8,13,18H,9H2,1-3H3
SMILES (Click to copy)
C1(OC)C(OC)=CC2C3OC4=CC(OC)=CC=C4C3COC=2C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
4
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
276.83
Topological Polar Surface Area
50.29
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
3.61
Molar Refractivity
84.64
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Updated at
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