Características Generales
| NatID | 1289 |
| Nombre Común | NatID_1289 |
| Fórmula Molecular | C30H50 |
| Tipo Químico | Prenol lipids > Triterpenoids |
| Peso Molecular | 410.391 g/mol |
| Otros nombres |
Representaciones
| Smiles | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C |
| Inchi | InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+ |
| Inchi Key | YYGNTYWPHWGJRM-AAJYLUCBSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 10.60 |
| TPSA | 0.00 |
| HBD | 0 |
| HBA | 0 |
| Enlaces Rotables | 15 |
| Anillos aromáticos | 0 |
| Átomos pesados | 30 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 0 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9589 | Flourensia oolepis | No | Very High | García, M., Gonzalez-Coloma, A., Donadel, O. J., Ardanaz, C. E., Tonn, C. E., & Sosa, M. E. (2007). Insecticidal effects of Flourensia oolepis Blake (Asteraceae) essential oil. Biochemical Systematics and Ecology, 35(4), 181–187. https://doi.org/10.1016/j.bse.2006.10.009 |
| 9964 | Smallanthus connatus | No | High | Bach, S. M., Schuff, C., Grau, A., & Catalán, C. A. N. (2007). Melampolides and other constituents from Smallanthus connatus. Biochemical Systematics and Ecology, 35(11), 785–789. https://doi.org/10.1016/j.bse.2007.03.015 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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