NatID | 1712 |
Common Name | NatID_1712 |
Molecular Formula | C15H22O3 |
Chemical Class | Prenol lipids > Sesquiterpenoids |
Molecular Weight | 250.157 g/mol |
Other names | 655243-25-7 |
Smiles | CC1(C)CC2=C(C(=O)[C@H](O)[C@@]2(C)O)[C@]2(C)C[C@@H]2C1 |
Inchi | InChI=1S/C15H22O3/c1-13(2)5-8-6-14(8,3)10-9(7-13)15(4,18)12(17)11(10)16/h8,12,17-18H,5-7H2,1-4H3/t8-,12-,14+,15-/m0/s1 |
Inchi Key | KTKIBPTZPFNWGI-WQLKMTMSSA-N |
3D Structure |
clogP | 1.82 |
TPSA | 57.53 |
HBD | 2 |
HBA | 3 |
Rotatable Bonds | 0 |
Aromatic Rings | 0 |
Heavy Atoms | 18 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 3 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
10434 | Porella swartziana | No | Low | Bovi Mitre, G., Kamiya, N., Bardón, A., & Asakawa, Y. (2003). Africane-Type Sesquiterpenoids from the Argentine Liverwort Porella swartziana and Their Antibacterial Activity. Journal of Natural Products, 67(1), 31–36. https://doi.org/10.1021/np030074z |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
---|---|---|---|---|
Loading... |