NatID | 434 |
Common Name | Methyl Strictanoate |
Molecular Formula | C21H34O5 |
Chemical Class | Isobenzofurans |
Molecular Weight | 366.241 g/mol |
Other names |
Smiles | COC(=O)C[C@]1(C)CC[C@]2(O[C@H](CC(C)=O)[C@H]3C(C)(C)CCC[C@@]32C)O1 |
Inchi | InChI=1S/C21H34O5/c1-14(22)12-15-17-18(2,3)8-7-9-20(17,5)21(25-15)11-10-19(4,26-21)13-16(23)24-6/h15,17H,7-13H2,1-6H3/t15-,17+,19+,20+,21+/m1/s1 |
Inchi Key | LBNHFUDEOMZNBR-ONKRVSLGSA-N |
3D Structure |
clogP | 4.03 |
TPSA | 61.83 |
HBD | 0 |
HBA | 5 |
Rotatable Bonds | 4 |
Aromatic Rings | 0 |
Heavy Atoms | 26 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 5 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9829 | Grindelia chiloensis | No | High | de los A. Mesurado, M., Arias Cassará, M. L., Misico, R., Bardón, A., Ybarra, M. I., & Cartagena, E. (2017). A New Depigmenting-Antifungal Methylated Grindelane from Grindelia chiloensis. Chemistry & Biodiversity, 14(5), e1600426. Portico. https://doi.org/10.1002/cbdv.201600426 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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