Structure Database (LMSD)
Common Name
6-Acetyldihydrostemonal
Systematic Name
11-Hydroxy-2,3,9-trimethoxy-6-acetoxyrotenone
Synonyms
3D model of 6-Acetyldihydrostemonal
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)
ZJUMLMKXRQIPRS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O9/c1-9(22)28-21-20-17(11-7-14(26-3)15(27-4)8-13(11)30-21)19(24)18-12(23)5-10(25-2)6-16(18)29-20/h5-8,17,20-21,23H,1-4H3
SMILES (Click to copy)
C1(OC)=CC2OC3C(OC(C)=O)OC4C(=CC(OC)=C(OC)C=4)C3C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
4
Aromatic Rings
2
Rotatable Bonds
5
Van der Waals Molecular Volume
358.61
Topological Polar Surface Area
113.89
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
9
logP
3.00
Molar Refractivity
102.90
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Updated at
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