NatID | 1677 |
Common Name | NatID_1677 |
Molecular Formula | C15H26O |
Chemical Class | Prenol lipids > Sesquiterpenoids |
Molecular Weight | 222.198 g/mol |
Other names | 1119-38-6 |
Smiles | C=C[C@@](C)(O)CC/C=C(\C)CCC=C(C)C |
Inchi | InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m1/s1 |
Inchi Key | FQTLCLSUCSAZDY-ATGUSINASA-N |
3D Structure |
clogP | 4.40 |
TPSA | 20.23 |
HBD | 1 |
HBA | 1 |
Rotatable Bonds | 7 |
Aromatic Rings | 0 |
Heavy Atoms | 16 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 1 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
10396 | Lippia integrifolia | No | Low | Catalán, C. A. N., de Lampasona, M. E. P., Cerda-García-Rojas, C. M., & Joseph-Nathan, P. (1995). Trace Constituents of Lippia integrifolia. Journal of Natural Products, 58(11), 1713–1717. https://doi.org/10.1021/np50125a010 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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