General Characteristics
| NatID | 1379 |
| Common Name | NatID_1379 |
| Molecular Formula | C20H30O2 |
| Chemical Class | Prenol lipids > Diterpenoids |
| Molecular Weight | 302.225 g/mol |
| Other names |
Representations
| Smiles | CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@]4(C(=O)O)C=C[C@@]3(CC[C@H]12)C4 |
| Inchi | InChI=1S/C20H30O2/c1-17(2)7-4-8-18(3)14(17)5-9-19-11-12-20(13-19,16(21)22)10-6-15(18)19/h11-12,14-15H,4-10,13H2,1-3H3,(H,21,22)/t14-,15+,18-,19+,20+/m1/s1 |
| Inchi Key | DTGDFYCZENUAMR-LEEVSCAKSA-N |
| 3D Structure |
Calculated Properties
| clogP | 5.04 |
| TPSA | 37.30 |
| HBD | 1 |
| HBA | 1 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 0 |
| Heavy Atoms | 22 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9850 | Petunia patagonica | No | High | Guerreiro, E., De Fernandez, J., & Giordano, O. S. (1984). Beyerene derivatives and other constituents from Petunia patagonica. Phytochemistry, 23(12), 2871–2873. https://doi.org/10.1016/0031-9422(84)83032-0 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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