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COCONUT Compound
Gancaonin F
CNP0101654.0 · C21H16O6 · View on COCONUT ↗
2D Structure
Identifiers
| Name | Gancaonin F |
|---|---|
| IUPAC Name | 6-hydroxy-21-methoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1(13),2(10),4,6,8,14,18,20-octaen-11-one |
| COCONUT ID | CNP0101654.0 |
| CAS | 126716-33-4 |
| InChIKey | YURHIASRSSMERJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H16O6/c1-21(2)7-6-12-14(27-21)9-15-17(18(12)24-3)19-16(20(23)26-15)11-5-4-10(22)8-13(11)25-19/h4-9,22H,1-3H3 |
| SMILES | COC1=C2C=CC(C)(C)OC2=CC2=C1C1=C(C(=O)O2)C2=CC=C(O)C=C2O1 |
Properties
| Molecular Formula | C21H16O6 |
|---|---|
| Molecular Weight | 364.35 |
| Exact Mass | 364.09469 |
| Log P (ALogP) | 4.59 |
| TPSA | 82.04 |
| H-Bond Donors / Acceptors | 1 / 6 |
| Rotatable Bonds | 1 |
| Lipinski's Rule of 5 Violations | 0 |
| QED Drug-likeness | 0.50 |
| NP-likeness | 2.20 |
Classification
| NP Pathway | Shikimates and Phenylpropanoids |
|---|---|
| NP Superclass | Isoflavonoids |
| NP Class | Coumestan |
| Chemical Superclass | Phenylpropanoids and polyketides |
| Chemical Class | Isoflavonoids |
| Chemical Subclass | Coumestans |
Reported in GR-MAPs Plants
| Glycyrrhiza glabra | as “Glycyrrhiza glabra” in COCONUT |
|---|
References (3)
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.