Structure Database (LMSD)
Common Name
Ambofuranol
Systematic Name
6-Hydroxy-2-(2-hydroxy-4-methoxyphenyl)-3-methoxy-5-prenylbenzofuran
Synonyms
3D model of Ambofuranol
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)
CRFPSPZXZWQQHE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O5/c1-12(2)5-6-13-9-16-19(11-17(13)22)26-21(20(16)25-4)15-8-7-14(24-3)10-18(15)23/h5,7-11,22-23H,6H2,1-4H3
SMILES (Click to copy)
C1(OC)C=CC(C2OC3=CC(O)=C(C/C=C(\C)/C)C=C3C=2OC)=C(O)C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
3
Aromatic Rings
3
Rotatable Bonds
5
Van der Waals Molecular Volume
324.91
Topological Polar Surface Area
72.06
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
5.04
Molar Refractivity
101.22
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Updated at
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