General Characteristics
2D structure
NatID 557
Common Name maslinic acid
Molecular Formula C30H48O4
Chemical Class Prenol lipids > Triterpenoids
Molecular Weight 472.355 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)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Inchi InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
Inchi Key MDZKJHQSJHYOHJ-LLICELPBSA-N
3D Structure

 

Calculated Properties
clogP 6.20
TPSA 77.76
HBD 3
HBA 3
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 34
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9754 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
9786 Mulguraea aspera No High
9860 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

 

Bioassay ID NPASS ID Target Activity type Activity