General Characteristics
| NatID | 267 |
| Common Name | Chemical transformation of Bacchotricuneatin A |
| Molecular Formula | C20H26O4 |
| Chemical Class | Naphthopyrans |
| Molecular Weight | 330.183 g/mol |
| Other names |
Representations
| Smiles | C[C@]12C[C@H](c3ccoc3)OC[C@@H]1CC[C@@]13COC(=O)[C@@H]1CCC[C@@H]32 |
| Inchi | InChI=1S/C20H26O4/c1-19-9-16(13-6-8-22-10-13)23-11-14(19)5-7-20-12-24-18(21)15(20)3-2-4-17(19)20/h6,8,10,14-17H,2-5,7,9,11-12H2,1H3/t14-,15-,16+,17+,19-,20+/m0/s1 |
| Inchi Key | AYCMMSGIYHDUSS-YGPNDZQQSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.12 |
| TPSA | 48.67 |
| HBD | 0 |
| HBA | 4 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 1 |
| Heavy Atoms | 24 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 1 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9432 | Baccharis spicata | No | Very High | González-Coloma, A., Guadaño, A., Tonn, C. E., & Sosa, M. E. (2005). Antifeedant/Insecticidal Terpenes from Asteraceae and Labiatae Species Native to Argentinean Semi-arid Lands. Zeitschrift Für Naturforschung C, 60(11–12), 855–861. https://doi.org/10.1515/znc-2005-11-1207 Gallardo, O. V., Tonn, C. E., Nieto, M., Morales, G. B., & Giordano, O. S. (1996). BioactiveNeo-Clerodane Diterpenoids TowardTenebrio MolitorLarvae fromTeucrium nudicauleH. andBaccharis spicata(Lam.) Beill. Natural Product Letters, 8(3), 189–197. https://doi.org/10.1080/10575639608044893 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||