Características Generales
| NatID | 175 |
| Nombre Común | Urs-12-ene-3β,22α-diol,19beta-Methyl-30-Noroleana-12-Ene-3beta,22alpha-Diol |
| Fórmula Molecular | C30H50O2 |
| Tipo Químico | Prenol lipids > Triterpenoids |
| Peso Molecular | 442.381 g/mol |
| Otros nombres |
Representaciones
| Smiles | C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@@H](O)C[C@H]1C |
| Inchi | InChI=1S/C30H50O2/c1-18-17-24(32)28(6)15-16-29(7)20(25(28)19(18)2)9-10-22-27(5)13-12-23(31)26(3,4)21(27)11-14-30(22,29)8/h9,18-19,21-25,31-32H,10-17H2,1-8H3/t18-,19+,21+,22-,23+,24+,25+,27+,28+,29-,30-/m1/s1 |
| Inchi Key | NLDHMADEDHYUNK-LTMXSULISA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 7.00 |
| TPSA | 40.46 |
| HBD | 2 |
| HBA | 2 |
| Enlaces Rotables | 0 |
| Anillos aromáticos | 0 |
| Átomos pesados | 32 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 2 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9363 | Nardophyllum bryoides | No | Very High | Sánchez, M., Mazzuca, M., Veloso, M. J., Fernández, L. R., Siless, G., Puricelli, L., & Palermo, J. A. (2010). Cytotoxic terpenoids from Nardophyllum bryoides. Phytochemistry, 71(11–12), 1395–1399. https://doi.org/10.1016/j.phytochem.2010.04.019 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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