General Characteristics
| NatID | 1335 |
| Common Name | NatID_1335 |
| Molecular Formula | C15H20O4 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 264.136 g/mol |
| Other names |
Representations
| Smiles | C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2C(=C)CC[C@@H]12 |
| Inchi | InChI=1S/C15H20O4/c1-8-4-6-11-13(12-9(2)3-5-10(8)12)19-14(17)15(11,18)7-16/h10-13,16,18H,1-7H2/t10-,11+,12-,13-,15-/m0/s1 |
| Inchi Key | RQNNFZZLPUJGMA-KBRXKUPHSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.18 |
| TPSA | 66.76 |
| HBD | 2 |
| HBA | 4 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 0 |
| Heavy Atoms | 19 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9663 | Helianthus petiolaris | No | Very High | Meragelman, K. M., Espinar, L. A., & Sosa, V. E. (1998). New Sesquiterpene Lactones and Other Constituents from Helianthus petiolaris. Journal of Natural Products, 61(1), 105–107. https://doi.org/10.1021/np9701384 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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