NatID | 981 |
Common Name | NatID_981 |
Molecular Formula | C15H24O |
Chemical Class | Organooxygen compounds > Alcohols and polyols |
Molecular Weight | 220.183 g/mol |
Other names |
Smiles | C=C[C@]1(C)[C@@H](O)CCC(=C)[C@@H]1/C=C/C(C)C |
Inchi | InChI=1S/C15H24O/c1-6-15(5)13(9-7-11(2)3)12(4)8-10-14(15)16/h6-7,9,11,13-14,16H,1,4,8,10H2,2-3,5H3/b9-7+/t13-,14-,15-/m0/s1 |
Inchi Key | DXMDZNOPRIYRBA-DUIMAYQASA-N |
3D Structure |
clogP | 3.72 |
TPSA | 20.23 |
HBD | 1 |
HBA | 1 |
Rotatable Bonds | 3 |
Aromatic Rings | 0 |
Heavy Atoms | 16 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 1 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9078 | 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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