NatID | 1717 |
Common Name | NatID_1717 |
Molecular Formula | C21H30O8 |
Chemical Class | Prenol lipids > Terpene lactones |
Molecular Weight | 410.194 g/mol |
Other names | 106009-45-4 |
Smiles | C=C1CC[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12 |
Inchi | InChI=1S/C21H30O8/c1-8-4-5-11-9(2)20(26)29-19(11)15-10(3)13(6-12(8)15)27-21-18(25)17(24)16(23)14(7-22)28-21/h9,11-19,21-25H,1,3-7H2,2H3/t9-,11-,12-,13-,14+,15-,16+,17-,18+,19-,21+/m0/s1 |
Inchi Key | LBJIOPYQHNZVLF-FKWIIEMVSA-N |
3D Structure |
clogP | -0.11 |
TPSA | 125.68 |
HBD | 4 |
HBA | 8 |
Rotatable Bonds | 3 |
Aromatic Rings | 0 |
Heavy Atoms | 29 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 8 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
10439 | Hyalis argentea var. latisquama | No | Low | Fernández, L. R., Butassi, E., Svetaz, L., Zacchino, S. A., Palermo, J. A., & Sánchez, M. (2014). Antifungal Terpenoids from Hyalis argentea var. latisquama. Journal of Natural Products, 77(7), 1579–1585. https://doi.org/10.1021/np500032u |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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