NatID | 368 |
Common Name | Lippifoli-1(6)-en-4β-ol-5-one |
Molecular Formula | C15H22O2 |
Chemical Class | Prenol lipids > Sesquiterpenoids |
Molecular Weight | 234.162 g/mol |
Other names | 155556-71-1 |
Smiles | CC1(C)C[C@H]2C[C@@]2(C)C2=C1C(=O)[C@@](C)(O)CC2 |
Inchi | InChI=1S/C15H22O2/c1-13(2)7-9-8-14(9,3)10-5-6-15(4,17)12(16)11(10)13/h9,17H,5-8H2,1-4H3/t9-,14+,15-/m0/s1 |
Inchi Key | QDNBEGKPBFOPJU-AMFBXLIHSA-N |
3D Structure |
clogP | 2.85 |
TPSA | 37.30 |
HBD | 1 |
HBA | 2 |
Rotatable Bonds | 0 |
Aromatic Rings | 0 |
Heavy Atoms | 17 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 2 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9202 | 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 Catalán, C. A. N., de Lampasona, M. E. P., de Fenik, I. J. S., Cerda-García-Rojas, C. M., Mora-Pérez, Y., & Joseph-Nathan, P. (1994). Minor Constituents of Lippia integrifolia. Journal of Natural Products, 57(2), 206–210. https://doi.org/10.1021/np50104a002 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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