Structure Database (LMSD)
Common Name
(-)-Amurensisin
Systematic Name
Synonyms
3D model of (-)-Amurensisin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
MLLKYCCCVKMSMP-FOIQADDNSA-N
InChi (Click to copy)
InChI=1S/C22H16O10/c23-8-3-12(24)9-5-15(27)20(31-16(9)4-8)7-1-10-17-11(6-13(25)18(28)19(17)29)22(30)32-21(10)14(26)2-7/h1-4,6,15,20,23-29H,5H2/t15-,20-/m1/s1
SMILES (Click to copy)
C12C(=O)OC3=C(O)C=C([C@@H]4[C@H](O)CC5C(O)=CC(O)=CC=5O4)C=C3C=1C(O)=C(O)C(O)=C2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
5
Aromatic Rings
4
Rotatable Bonds
1
Van der Waals Molecular Volume
345.26
Topological Polar Surface Area
183.12
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
10
logP
3.40
Molar Refractivity
110.12
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Updated at
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