General Characteristics
2D structure
NatID 559
Common Name oleanolic acid
Molecular Formula C30H48O3
Chemical Class Prenol lipids > Triterpenoids
Molecular Weight 456.360 g/mol
Other names

 

Representations
Smiles CC1(C)CC[C@]2(C(=O)O)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/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
Inchi Key MIJYXULNPSFWEK-GTOFXWBISA-N
3D Structure

 

Calculated Properties
clogP 7.23
TPSA 57.53
HBD 2
HBA 2
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 33
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
9364 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
9444 Lampayo hieronymi No Very High Alvarez, M. E., Rotelli, A. E., Pelzer, L. E., Saad, J. R., & Giordano, O. (2000). Phytochemical study and anti-inflammatory properties of Lampaya hieronymi Schum. ex Moldenke. Il Farmaco, 55(6–7), 502–505. https://doi.org/10.1016/s0014-827x(00)00067-7
9733 Salvia cuspidata subsp. gilliesii No Very High Nieto, M., Garcı́a, E. E., Giordano, O. S., & Tonn, C. E. (2000). Icetexane and abietane diterpenoids from Salvia gilliessi. Phytochemistry, 53(8), 911–915. https://doi.org/10.1016/s0031-9422(99)00480-x
9755 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
9789 Mulguraea aspera No High
9861 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
9952 Clematis montevidensis No High Álvarez, M. E., María, A. O. M., Villegas, O., & Saad, J. R. (2003). Evaluation of diuretic activity of the constituents ofClematis montevidensisSpreng. (Ranunculaceae) in rats. Phytotherapy Research, 17(8), 958–960. Portico. https://doi.org/10.1002/ptr.1268
9980 Cyclolepis genistoides No High Sosa, A., Fusco, M. R., Rossomando, P., Juárez, A., Robles, S., Petenatti, E., & Pelzer, L. (2011). Anti-inflammatory properties from isolated compounds ofCyclolepis genistoides. Pharmaceutical Biology, 49(7), 675–678. https://doi.org/10.3109/13880200903431467

 

Bioassay ID NPASS ID Target Activity type Activity