NatID | 90 |
Common Name | Prenyletin metil eter |
Molecular Formula | C15H16O4 |
Chemical Class | Coumarins and derivatives |
Molecular Weight | 260.105 g/mol |
Other names |
Smiles | COc1cc2ccc(=O)oc2cc1OCC=C(C)C |
Inchi | InChI=1S/C15H16O4/c1-10(2)6-7-18-14-9-12-11(8-13(14)17-3)4-5-15(16)19-12/h4-6,8-9H,7H2,1-3H3 |
Inchi Key | ZLPLFUBVEZVYDX-UHFFFAOYSA-N |
3D Structure |
clogP | 3.15 |
TPSA | 48.67 |
HBD | 0 |
HBA | 4 |
Rotatable Bonds | 4 |
Aromatic Rings | 2 |
Heavy Atoms | 19 |
Aromatic Carbocycles | 1 |
Aromatic Heterocycles | 1 |
Number of NO | 4 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9950 | Pterocaulon polystachyum | No | High | Vera, N., Bardón, A., Catalán, C. A. N., Gedris, T. E., & Herz, W. (2001). New Coumarins from Pterocaulon polystachyum. Planta Medica, 67(7), 674–677. https://doi.org/10.1055/s-2001-17365 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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