Structure Database (LMSD)
Common Name
1'',2''-Dihydro-O-methylcyclopomiferin
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 1'',2''-Dihydro-O-methylcyclopomiferin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
RMFBGIVQEFNLAE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H28O6/c1-25(2)10-8-15-22(31-25)16-9-11-26(3,4)32-24(16)20-21(28)17(13-30-23(15)20)14-6-7-18(27)19(12-14)29-5/h6-7,12-13,27H,8-11H2,1-5H3
SMILES (Click to copy)
C12OC(C)(C)CCC=1C1OC=C(C3C=CC(O)=C(OC)C=3)C(=O)C=1C1OC(C)(C)CCC2=1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
5
Aromatic Rings
3
Rotatable Bonds
2
Van der Waals Molecular Volume
395.48
Topological Polar Surface Area
82.27
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
6.85
Molar Refractivity
123.32
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Created at
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Updated at
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