NatID | 995 |
Common Name | NatID_995 |
Molecular Formula | C15H26O |
Chemical Class | Prenol lipids > Sesquiterpenoids |
Molecular Weight | 222.198 g/mol |
Other names |
Smiles | CC1=C2C[C@H](C(C)(C)O)CC[C@@]2(C)CCC1 |
Inchi | InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15-/m1/s1 |
Inchi Key | WMOPMQRJLLIEJV-IUODEOHRSA-N |
3D Structure |
clogP | 4.06 |
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 |
---|---|---|---|---|
9093 | Xenophyllum incisum | No | Very High | de Marchese, M. J. A., Heluani, C. S. de, Catalán, C. A. N., Griffin, C. A., Vaughn, J. B., & Herz, W. (2007). Incisol, an alcohol with a novel sesquiterpene skeleton from Xenophyllum incisum. Biochemical Systematics and Ecology, 35(3), 169–175. https://doi.org/10.1016/j.bse.2006.10.006 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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