Structure Database (LMSD)
Common Name
Amorilin
Systematic Name
Synonyms
3D model of Amorilin
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)
DZDSXIHHFCPPHL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H36O5/c1-17(2)7-10-20-15-21(11-14-24(20)31)26-16-25(32)27-29(34)22(12-8-18(3)4)28(33)23(30(27)35-26)13-9-19(5)6/h7-9,11,14-15,26,31,33-34H,10,12-13,16H2,1-6H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OC(C3C=C(C/C=C(/C)\C)C(O)=CC=3)CC(=O)C=2C(O)=C1C/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
35
Rings
3
Aromatic Rings
2
Rotatable Bonds
7
Van der Waals Molecular Volume
486.23
Topological Polar Surface Area
89.06
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
7.04
Molar Refractivity
139.60
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Updated at
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