Características Generales
| NatID | 557 |
| Nombre Común | maslinic acid |
| Fórmula Molecular | C30H48O4 |
| Tipo Químico | Prenol lipids > Triterpenoids |
| Peso Molecular | 472.355 g/mol |
| Otros nombres |
Representaciones
| Smiles | CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Inchi | InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1 |
| Inchi Key | MDZKJHQSJHYOHJ-LLICELPBSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 6.20 |
| TPSA | 77.76 |
| HBD | 3 |
| HBA | 3 |
| Enlaces Rotables | 1 |
| Anillos aromáticos | 0 |
| Átomos pesados | 34 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 4 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9754 | Bidens subalternans | No | Very High | Ortega, C., Rotelli, A., & Gianello, J. (1998). Chemical Components and Anti-Inflammatory Activity fromBidens subalternans. Planta Medica, 64(08), 778–778. https://doi.org/10.1055/s-2006-957586 |
| 9786 | Mulguraea aspera | No | High | |
| 9860 | Bidens aurea | No | Unknown | Ortega, C., María, A., & Gianello, J. (2000). Chemical Components and Biological Activity of Bidens Subalternans, B. Aurea (Astereaceae) and Zuccagnia Puntacta (Fabaceae). Molecules, 5(12), 465–467. https://doi.org/10.3390/50300465 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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