Structure Database (LMSD)
Common Name
Scandenin
Systematic Name
Synonyms
3D model of Scandenin
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)
AAKJUGSASOCUFQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H26O6/c1-14(2)6-11-17-22-18(12-13-26(3,4)32-22)24-20(23(17)30-5)21(28)19(25(29)31-24)15-7-9-16(27)10-8-15/h6-10,12-13,27-28H,11H2,1-5H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(=O)C(C3=CC=C(O)C=C3)=C(O)C=1C(OC)=C2C/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
4
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
402.56
Topological Polar Surface Area
91.20
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
6.76
Molar Refractivity
125.30
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Updated at
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