General Characteristics
| NatID | 1001 |
| Common Name | NatID_1001 |
| Molecular Formula | C15H22 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 202.172 g/mol |
| Other names |
Representations
| Smiles | CC1(C)C2C[C@H]3[C@@]14C=CCC(C)(C)[C@]34C2 |
| Inchi | InChI=1S/C15H22/c1-12(2)6-5-7-14-11-8-10(13(14,3)4)9-15(11,12)14/h5,7,10-11H,6,8-9H2,1-4H3/t10?,11-,14-,15-/m0/s1 |
| Inchi Key | KRRPIPKRJIIGHL-ZJINVJJNSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.02 |
| 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 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9099 | 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 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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