NatID | 1069 |
Common Name | NatID_1069 |
Molecular Formula | C15H24 |
Chemical Class | Prenol lipids > Sesquiterpenoids |
Molecular Weight | 204.188 g/mol |
Other names |
Smiles | C=C1CC[C@@H]2[C@H]([C@@H]3[C@H](C)CC[C@@H]13)C2(C)C |
Inchi | InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11+,12-,13-,14-/m1/s1 |
Inchi Key | ITYNGVSTWVVPIC-XVIXHAIJSA-N |
3D Structure |
clogP | 4.27 |
TPSA | 0.00 |
HBD | 0 |
HBA | 0 |
Rotatable Bonds | 0 |
Aromatic Rings | 0 |
Heavy Atoms | 15 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 0 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9213 | 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 |
9595 | 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 |
9968 | Smallanthus connatus | No | High | Bach, S. M., Schuff, C., Grau, A., & Catalán, C. A. N. (2007). Melampolides and other constituents from Smallanthus connatus. Biochemical Systematics and Ecology, 35(11), 785–789. https://doi.org/10.1016/j.bse.2007.03.015 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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