NatID | 1092 |
Nombre Común | NatID_1092 |
Fórmula Molecular | C15H24 |
Tipo Químico | Prenol lipids > Sesquiterpenoids |
Peso Molecular | 204.188 g/mol |
Otros nombres | 227606-71-5 |
Smiles | C=C1CCC=C(C)C[C@H]2CC(C)(C)C[C@H]12 |
Inchi | InChI=1S/C15H24/c1-11-6-5-7-12(2)14-10-15(3,4)9-13(14)8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/t13-,14+/m0/s1 |
Inchi Key | JRCVPJOABWZGQV-UONOGXRCSA-N |
Estructura 3D |
clogP | 4.73 |
TPSA | 0.00 |
HBD | 0 |
HBA | 0 |
Enlaces Rotables | 0 |
Anillos aromáticos | 0 |
Átomos pesados | 15 |
Carbociclos Aromáticos | 0 |
Heterociclos Aromáticos | 0 |
Número de NO | 0 |
EID | Fuente | Semisintético? | Confidence level | Referencias |
---|---|---|---|---|
9240 | Lippia integrifolia | No | Unknown | del C. Coronel, A., Cerda-García-Rojas, C. M., Joseph-Nathan, P., & Catalán, C. A. N. (2006). Chemical composition, seasonal variation and a new sesquiterpene alcohol from the essential oil ofLippia integrifolia. Flavour and Fragrance Journal, 21(5), 839–847. https://doi.org/10.1002/ffj.1736 Fricke, C., Hardt, I. H., König, W. A., Joulain, D., Zygadlo, J. A., & Guzmàn, C. A. (1999). Sesquiterpenes from Lippia integrifolia Essential Oil. Journal of Natural Products, 62(5), 694–696. https://doi.org/10.1021/np980424v |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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