NatID | 1609 |
Nombre Común | NatID_1609 |
Fórmula Molecular | C29H46O |
Tipo Químico | Steroids and steroid derivatives > Stigmastanes and derivatives |
Peso Molecular | 410.355 g/mol |
Otros nombres | 29374-98-9 |
Smiles | CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C |
Inchi | InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,18-21,24-27H,7-9,12-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1 |
Inchi Key | KEAZWUZFBSXOMV-XJZKHKOHSA-N |
Estructura 3D |
clogP | 8.01 |
TPSA | 17.07 |
HBD | 0 |
HBA | 1 |
Enlaces Rotables | 6 |
Anillos aromáticos | 0 |
Átomos pesados | 30 |
Carbociclos Aromáticos | 0 |
Heterociclos Aromáticos | 0 |
Número de NO | 1 |
EID | Fuente | Semisintético? | Confidence level | Referencias |
---|---|---|---|---|
10301 | Senecio viravira | No | Low | Jares, E., & Pomilio, A. B. (1987). Pyrrolizidine Alkaloids and Other Components of Senecio vira-vira. Journal of Natural Products, 50(3), 514–514. https://doi.org/10.1021/np50051a034 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
---|---|---|---|---|
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