Structure Database (LMSD)
Common Name
Lonchocarpol D
Systematic Name
Synonyms
3D model of Lonchocarpol D
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)
WHZASJDTVMUREZ-XJDOXCRVSA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-13(2)5-10-16-23-17(11-20(31-23)25(3,4)29)22(28)21-18(27)12-19(30-24(16)21)14-6-8-15(26)9-7-14/h5-9,19-20,26,28-29H,10-12H2,1-4H3/t19-,20?/m0/s1
SMILES (Click to copy)
C12CC(C(C)(O)C)OC1=C(C/C=C(\C)/C)C1O[C@H](C3C=CC(O)=CC=3)CC(=O)C=1C=2O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
4
Aromatic Rings
2
Rotatable Bonds
4
Van der Waals Molecular Volume
401.44
Topological Polar Surface Area
100.36
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
4.96
Molar Refractivity
117.11
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Updated at
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