Structure Database (LMSD)
Common Name
Broussonol B
Systematic Name
Synonyms
3D model of Broussonol B
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)
WYEJSRSJEMZHNA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O7/c1-11-25(4,5)18-16(30-11)10-14(26)17-19(28)20(29)22(31-23(17)18)13-8-12-6-7-24(2,3)32-21(12)15(27)9-13/h6-11,26-27,29H,1-5H3
SMILES (Click to copy)
C12=C(O)C=C3OC(C)C(C)(C)C3=C1OC(C1C=C3C=CC(C)(C)OC3=C(O)C=1)=C(O)C2=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
5
Aromatic Rings
2
Rotatable Bonds
1
Van der Waals Molecular Volume
395.23
Topological Polar Surface Area
111.66
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
5.42
Molar Refractivity
118.60
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Updated at
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