Structure Database (LMSD)
Common Name
Hispaglabridin A
Systematic Name
Synonyms
3D model of Hispaglabridin A
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)
HZHXMXSXYQCAIG-KRWDZBQOSA-N
InChi (Click to copy)
InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-8-18(23(19)27)17-13-16-6-10-22-20(24(16)28-14-17)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3/t17-/m0/s1
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC[C@@]([H])(C3C(O)=C(C/C=C(\C)/C)C(O)=CC=3)CC=1C=C2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
4
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
383.86
Topological Polar Surface Area
63.06
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
6.08
Molar Refractivity
116.03
Admin
Created at
-
Updated at
-