NatID | 1646 |
Common Name | NatID_1646 |
Molecular Formula | C20H32O2 |
Chemical Class | Prenol lipids > Diterpenoids |
Molecular Weight | 304.240 g/mol |
Other names | 1282042-38-9 |
Smiles | CC(C)[C@H]1CC[C@]2(C)CC3=C(C(=O)C[C@@]3(C)O)[C@@H](C)CC[C@@H]12 |
Inchi | InChI=1S/C20H32O2/c1-12(2)14-8-9-19(4)10-16-18(13(3)6-7-15(14)19)17(21)11-20(16,5)22/h12-15,22H,6-11H2,1-5H3/t13-,14+,15-,19+,20+/m0/s1 |
Inchi Key | NXIQEZUWFNXIFV-YRYMLKIGSA-N |
3D Structure |
clogP | 4.52 |
TPSA | 37.30 |
HBD | 1 |
HBA | 2 |
Rotatable Bonds | 1 |
Aromatic Rings | 0 |
Heavy Atoms | 22 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 2 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
10344 | 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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