General Characteristics
| NatID | 1764 |
| Common Name | NatID_1764 |
| Molecular Formula | C19H24O3 |
| Chemical Class | Prenol lipids > Monoterpenoids |
| Molecular Weight | 300.173 g/mol |
| Other names | 101622-79-1 |
Representations
| Smiles | CC(C)=CCC/C(C)=C/CC1(O)Oc2cccc(C)c2C1=O |
| Inchi | InChI=1S/C19H24O3/c1-13(2)7-5-8-14(3)11-12-19(21)18(20)17-15(4)9-6-10-16(17)22-19/h6-7,9-11,21H,5,8,12H2,1-4H3/b14-11+ |
| Inchi Key | LYYYGBZWTAWUFH-SDNWHVSQSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.34 |
| TPSA | 46.53 |
| HBD | 1 |
| HBA | 3 |
| Rotatable Bonds | 5 |
| Aromatic Rings | 1 |
| Heavy Atoms | 22 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10489 | Mutisia friesiana | No | Low | Viturro, C. I., de la Fuente, J. R., & Maier, M. S. (2004). 5-Methylcoumaranones from Mutisia friesiana and Their Bioactivity. Journal of Natural Products, 67(5), 778–782. https://doi.org/10.1021/np0304058 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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