NatID | 1340 |
Common Name | NatID_1340 |
Molecular Formula | C30H50O |
Chemical Class | Prenol lipids > Triterpenoids |
Molecular Weight | 426.386 g/mol |
Other names | 545-47-1 |
Smiles | C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
Inchi | InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1 |
Inchi Key | MQYXUWHLBZFQQO-QGTGJCAVSA-N |
3D Structure |
clogP | 8.02 |
TPSA | 20.23 |
HBD | 1 |
HBA | 1 |
Rotatable Bonds | 1 |
Aromatic Rings | 0 |
Heavy Atoms | 31 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 1 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9671 | Lessingianthus mollissimus | No | Unknown | Catalán, C. A. N., de Iglesias, D. I. A., Kavka, J., Sosa, V. E., & Herz, W. (1986). Sesquiterpene Lactones and Other Constituents of Vernonia mollissima and Vernonia squamulosa. Journal of Natural Products, 49(2), 351–353. https://doi.org/10.1021/np50044a031 |
9692 | Cecropia pachystachya | No | Unknown | Pedernera, A. M., Guardia, T., Guardia Calderón, C. E., Rotelli, A. E., de la Rocha, N. E., Saad, J. R., Lopez Verrilli, M. A., Garcia Aseff, S., & Pelzer, L. E. (2010). Anti-inflammatory effect of Acacia visco extracts in animal models. Inflammopharmacology, 18(5), 253–260. https://doi.org/10.1007/s10787-009-0028-6 |
10233 | Monteverdia spinosa | No | Low | Gutiérrez-Nicolás, F., Oberti, J. C., Ravelo, Á. G., & Estévez-Braun, A. (2014). β-Agarofurans and Sesquiterpene Pyridine Alkaloids from Maytenus spinosa. Journal of Natural Products, 77(8), 1853–1863. https://doi.org/10.1021/np500317t |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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