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COCONUT Compound
Luteolinidin 3-O-glucoside
CNP0545045.1 · [C21H21O10]+ · View on COCONUT ↗
2D Structure
Identifiers
| Name | Luteolinidin 3-O-glucoside |
|---|---|
| IUPAC Name | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-chromenylium-5-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol |
| COCONUT ID | CNP0545045.1 |
| InChIKey | RXQNESSHTIRLBK-YMQHIKHWSA-O |
| InChI | InChI=1S/C21H20O10/c22-8-17-18(26)19(27)20(28)21(31-17)30-16-7-10(23)6-15-11(16)2-4-14(29-15)9-1-3-12(24)13(25)5-9/h1-7,17-22,26-28H,8H2,(H2-,23,24,25)/p+1/t17-,18-,19+,20-,21-/m1/s1 |
| SMILES | OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O |
Properties
| Molecular Formula | [C21H21O10]+ |
|---|---|
| Molecular Weight | 433.39 |
| Exact Mass | 433.11292 |
| Log P (ALogP) | 0.68 |
| TPSA | 171.37 |
| H-Bond Donors / Acceptors | 7 / 9 |
| Rotatable Bonds | 4 |
| Lipinski's Rule of 5 Violations | 1 |
| QED Drug-likeness | 0.23 |
| NP-likeness | 2.13 |
Classification
| NP Pathway | Shikimates and Phenylpropanoids |
|---|---|
| NP Superclass | Flavonoids |
| NP Class | Anthocyanidins |
| Chemical Superclass | Phenylpropanoids and polyketides |
| Chemical Class | Flavonoids |
| Chemical Subclass | Flavonoid glycosides |
Reported in GR-MAPs Plants
| Mucuna pruriens | as “Mucuna pruriens” in COCONUT |
|---|
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.