General Characteristics
2D structure
NatID 542
Common Name β-amyrin
Molecular Formula C30H50O
Chemical Class Prenol lipids > Triterpenoids
Molecular Weight 426.386 g/mol
Other names 559-70-6

 

Representations
Smiles CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Inchi InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1
Inchi Key JFSHUTJDVKUMTJ-QHPUVITPSA-N
3D Structure

 

Calculated Properties
clogP 8.17
TPSA 20.23
HBD 1
HBA 1
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 31
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 1

 

Experiments
EID Source Semisynthetic? Confidence level References
9672 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
9691 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
9985 Artemisia douglasiana No High Rodriguez, G., Pestchanker, L. J., Pestchanker, M. J., & Giordano, O. S. (1990). Guaianolides and other constituents from Artemisia douglasiana. Phytochemistry, 29(9), 3028–3029. https://doi.org/10.1016/0031-9422(90)87129-i
10305 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