Structure Database (LMSD)
Common Name
Lonchocarpenin
Systematic Name
4-Hydroxy-5-me4-Hydroxy-5-methoxy-3-(4-methoxyphenyl)-8,8-dimethyl-10-(3-methyl-2-butenyl)-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one
Synonyms
3D model of Lonchocarpenin
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/
Brachypterum scandens
(#1225699)
Magnoliopsida
(#3398)
Natural occurrence of 3-aryl-4-hydroxycoumarins. Part II. Phytochemical examination of Derris scandens(roxb.) benth.,
J Chem Soc C, 1969
J Chem Soc C, 1969
DOI:
10.1039/J39690000374
String Representations
InChiKey (Click to copy)
CCYKXDPVYWRNMH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H28O6/c1-15(2)7-12-18-23-19(13-14-27(3,4)33-23)24(31-6)21-22(28)20(26(29)32-25(18)21)16-8-10-17(30-5)11-9-16/h7-11,13-14,28H,12H2,1-6H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C(OC)=C1C(O)=C(C3C=CC(OC)=CC=3)C(=O)OC1=C2C/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
4
Aromatic Rings
2
Rotatable Bonds
5
Van der Waals Molecular Volume
430.76
Topological Polar Surface Area
78.36
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
6.03
Molar Refractivity
128.45
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Created at
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Updated at
30th Jun 2025