General Characteristics
| NatID | 1765 |
| Common Name | NatID_1765 |
| Molecular Formula | C24H30O5 |
| Chemical Class | Prenol lipids > Diterpenoids |
| Molecular Weight | 398.209 g/mol |
| Other names | 118448-93-4 |
Representations
| Smiles | CC(C)=CC(O)C(=O)C(C)=CCCC(C)=CCC1(O)Oc2cccc(C)c2C1=O |
| Inchi | InChI=1S/C24H30O5/c1-15(2)14-19(25)22(26)18(5)10-6-8-16(3)12-13-24(28)23(27)21-17(4)9-7-11-20(21)29-24/h7,9-12,14,19,25,28H,6,8,13H2,1-5H3 |
| Inchi Key | VVBKGKVVVDCESM-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.22 |
| TPSA | 83.83 |
| HBD | 2 |
| HBA | 5 |
| Rotatable Bonds | 8 |
| Aromatic Rings | 1 |
| Heavy Atoms | 29 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10490 | 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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