Structure Database (LMSD)
Common Name
Amoradicin
Systematic Name
Synonyms
3D model of Amoradicin
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)
JYYYAFQRQMMXDY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H30O6/c1-14(2)6-9-17-24(30)23-21(29)13-22(16-8-11-19(27)20(28)12-16)32-26(23)18(25(17)31-5)10-7-15(3)4/h6-8,11-12,22,27-28,30H,9-10,13H2,1-5H3
SMILES (Click to copy)
C1(OC)=C(C/C=C(\C)/C)C2OC(C3C=C(O)C(O)=CC=3)CC(=O)C=2C(O)=C1C/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
3
Aromatic Rings
2
Rotatable Bonds
6
Van der Waals Molecular Volume
428.46
Topological Polar Surface Area
98.29
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
5.54
Molar Refractivity
123.02
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