(4~{R})-4,5-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
CNP0240457.1 · C20H18O6 · View on COCONUT ↗
Identifiers
| IUPAC Name | (4~{R})-4,5-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one |
|---|
| COCONUT ID | CNP0240457.1 |
|---|
| InChIKey | LNOUAWTWAHZUJH-CYBMUJFWSA-N |
|---|
| InChI | InChI=1S/C20H18O6/c1-20(2)9-13(23)18-16(26-20)8-15-17(19(18)24)12(22)7-14(25-15)10-3-5-11(21)6-4-10/h3-8,13,21,23-24H,9H2,1-2H3/t13-/m1/s1 |
|---|
| SMILES | CC1(C)C[C@@H](O)C2=C(C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1 |
|---|
Properties
| Molecular Formula | C20H18O6 |
|---|
| Molecular Weight | 354.36 |
|---|
| Exact Mass | 354.11034 |
|---|
| Log P (ALogP) | 3.47 |
|---|
| TPSA | 100.13 |
|---|
| H-Bond Donors / Acceptors | 3 / 6 |
|---|
| Rotatable Bonds | 1 |
|---|
| Lipinski's Rule of 5 Violations | 0 |
|---|
| QED Drug-likeness | 0.62 |
|---|
| NP-likeness | 1.74 |
|---|
Classification
| NP Pathway | Shikimates and Phenylpropanoids |
|---|
| NP Superclass | Flavonoids |
|---|
| NP Class | Flavones |
|---|
| Chemical Superclass | Phenylpropanoids and polyketides |
|---|
| Chemical Class | Flavonoids |
|---|
| Chemical Subclass | Pyranoflavonoids |
|---|
Reported in GR-MAPs Plants
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.
