NatID | 1647 |
Common Name | NatID_1647 |
Molecular Formula | C15H26O |
Chemical Class | Prenol lipids > Sesquiterpenoids |
Molecular Weight | 222.198 g/mol |
Other names | 62121-19-1 |
Smiles | C=C[C@@]1(O)CC[C@@]2(C)[C@H](C)CC[C@@]2(C)[C@@H]1C |
Inchi | InChI=1S/C15H26O/c1-6-15(16)10-9-13(4)11(2)7-8-14(13,5)12(15)3/h6,11-12,16H,1,7-10H2,2-5H3/t11-,12+,13+,14+,15-/m1/s1 |
Inchi Key | TUCSIUBDOHTKKQ-CAEXGNQWSA-N |
3D Structure |
clogP | 3.78 |
TPSA | 20.23 |
HBD | 1 |
HBA | 1 |
Rotatable Bonds | 1 |
Aromatic Rings | 0 |
Heavy Atoms | 16 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 1 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
10345 | Porella chilensis | No | Low | Gilabert, M., Ramos, A. N., Schiavone, M. M., Arena, M. E., & Bardón, A. (2011). Bioactive Sesqui- and Diterpenoids from the Argentine LiverwortPorella chilensis. Journal of Natural Products, 74(4), 574–579. https://doi.org/10.1021/np100472d |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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