NatID | 1435 |
Common Name | NatID_1435 |
Molecular Formula | C24H30O10 |
Chemical Class | Prenol lipids > Terpene lactones |
Molecular Weight | 478.184 g/mol |
Other names | 52229-61-5 |
Smiles | CC=C(C)C(=O)OC1CC(C)(OC(C)=O)C(=O)CCC2(C)OC2C2OC(=O)C(COC(C)=O)=C12 |
Inchi | InChI=1S/C24H30O10/c1-7-12(2)21(28)31-16-10-24(6,33-14(4)26)17(27)8-9-23(5)20(34-23)19-18(16)15(22(29)32-19)11-30-13(3)25/h7,16,19-20H,8-11H2,1-6H3 |
Inchi Key | IVMHAUCBWSMYCF-UHFFFAOYSA-N |
3D Structure |
clogP | 1.88 |
TPSA | 134.80 |
HBD | 0 |
HBA | 10 |
Rotatable Bonds | 5 |
Aromatic Rings | 0 |
Heavy Atoms | 34 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 10 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
10069 | 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 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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