NatID | 1095 |
Common Name | NatID_1095 |
Molecular Formula | C15H24O |
Chemical Class | Organooxygen compounds > Alcohols and polyols |
Molecular Weight | 220.183 g/mol |
Other names | 227606-70-4 |
Smiles | C[C@@H]1CC[C@]2(O)C1=CC(C)(C)C[C@H]1C[C@]12C |
Inchi | InChI=1S/C15H24O/c1-10-5-6-15(16)12(10)9-13(2,3)7-11-8-14(11,15)4/h9-11,16H,5-8H2,1-4H3/t10-,11+,14-,15+/m1/s1 |
Inchi Key | NPYWCGZXPHXONM-BVIHXZOGSA-N |
3D Structure |
clogP | 3.53 |
TPSA | 20.23 |
HBD | 1 |
HBA | 1 |
Rotatable Bonds | 0 |
Aromatic Rings | 0 |
Heavy Atoms | 16 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 1 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9243 | 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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