Structure Database (LMSD)
Systematic Name
3,5,8,3',4'-Pentamethoxy-7-prenyloxyflavone
Synonyms
3D model of
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)
DTMYCAXVEVOVSI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O8/c1-14(2)10-11-32-19-13-18(29-5)20-21(26)25(31-7)22(33-24(20)23(19)30-6)15-8-9-16(27-3)17(12-15)28-4/h8-10,12-13H,11H2,1-7H3
SMILES (Click to copy)
C1(OC/C=C(\C)/C)=C(OC)C2OC(C3C=C(OC)C(OC)=CC=3)=C(OC)C(=O)C=2C(OC)=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
3
Aromatic Rings
3
Rotatable Bonds
9
Van der Waals Molecular Volume
417.84
Topological Polar Surface Area
85.59
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
8
logP
6.03
Molar Refractivity
126.20
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Created at
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Updated at
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