NatID | 1081 |
Common Name | NatID_1081 |
Molecular Formula | C15H24 |
Chemical Class | Prenol lipids > Sesquiterpenoids |
Molecular Weight | 204.188 g/mol |
Other names |
Smiles | CC1=C[C@@H]2[C@H](CC1)C(C)=CC[C@@H]2C(C)C |
Inchi | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14-,15+/m1/s1 |
Inchi Key | QMAYBMKBYCGXDH-KFWWJZLASA-N |
3D Structure |
clogP | 4.58 |
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 |
---|---|---|---|---|
9229 | 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 |
9971 | 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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