Características Generales
2D structure
NatID 982
Nombre Común NatID_982
Fórmula Molecular C15H24
Tipo Químico Prenol lipids > Sesquiterpenoids
Peso Molecular 204.188 g/mol
Otros nombres

 

Representaciones
Smiles CC1=CC[C@H]2[C@@H]3[C@H](C(C)C)CC[C@@]2(C)[C@H]13
Inchi InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14+,15+/m0/s1
Inchi Key VLXDPFLIRFYIME-BTFPBAQTSA-N
Estructura 3D

 

Propiedades calculadas
clogP 4.27
TPSA 0.00
HBD 0
HBA 0
Enlaces Rotables 1
Anillos aromáticos 0
Átomos pesados 15
Carbociclos Aromáticos 0
Heterociclos Aromáticos 0
Número de NO 0

 

Experimentos
EID Fuente Semisintético? Confidence level Referencias
9079 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
9167 Aristolochia argentina No Very High Priestap, H. A., van Baren, C. M., Di Leo Lira, P., Coussio, J. D., & Bandoni, A. L. (2003). Volatile constituents of Aristolochia argentina. Phytochemistry, 63(2), 221–225. https://doi.org/10.1016/s0031-9422(02)00751-3
9206 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
9590 Flourensia oolepis No Very High García, M., Gonzalez-Coloma, A., Donadel, O. J., Ardanaz, C. E., Tonn, C. E., & Sosa, M. E. (2007). Insecticidal effects of Flourensia oolepis Blake (Asteraceae) essential oil. Biochemical Systematics and Ecology, 35(4), 181–187. https://doi.org/10.1016/j.bse.2006.10.009

 

Bioassay IDNPASS IDTargetActivity typeActivity
Loading...