Structure Database (LMSD)
Common Name
Lanceolin
Systematic Name
(E)-4'-(β-D-Glucopyranosyloxy)-3'-methoxy-2',3,4-trihydroxychalcone
Synonyms
3D model of Lanceolin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Coreopsis lanceolata
(#159666)
Magnoliopsida
(#3398)
Anthochlor Pigments of Cosmos sulphureus, Coreopsis lanceolata and C. saxicola,
J Am Chem Soc, 1953
J Am Chem Soc, 1953
DOI:
10.1021/ja01104a036
String Representations
InChiKey (Click to copy)
NKUZBSSFPNODMD-DNNVGZTLSA-N
InChi (Click to copy)
InChI=1S/C22H24O11/c1-31-21-15(32-22-20(30)19(29)18(28)16(9-23)33-22)7-4-11(17(21)27)12(24)5-2-10-3-6-13(25)14(26)8-10/h2-8,16,18-20,22-23,25-30H,9H2,1H3/b5-2+/t16-,18-,19+,20-,22-/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=CC(C(=O)/C=C/C2C=CC(O)=C(O)C=2)=C(O)C=1OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
3
Aromatic Rings
2
Rotatable Bonds
7
Van der Waals Molecular Volume
405.85
Topological Polar Surface Area
188.44
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
11
logP
1.60
Molar Refractivity
115.24
Admin
Created at
-
Updated at
17th Mar 2025