NatID | 982 |
Common Name | NatID_982 |
Molecular Formula | C15H24 |
Chemical Class | Prenol lipids > Sesquiterpenoids |
Molecular Weight | 204.188 g/mol |
Other names |
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 |
3D Structure |
clogP | 4.27 |
TPSA | 0.00 |
HBD | 0 |
HBA | 0 |
Rotatable Bonds | 1 |
Aromatic Rings | 0 |
Heavy Atoms | 15 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 0 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
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 ID | NPASS ID | Target | Activity type | Activity |
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