NatID | 1044 |
Common Name | NatID_1044 |
Molecular Formula | C15H24 |
Chemical Class | Prenol lipids > Sesquiterpenoids |
Molecular Weight | 204.188 g/mol |
Other names |
Smiles | C=C[C@@]1(C)CCC(C(C)C)=C[C@@H]1C(=C)C |
Inchi | InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10-11,14H,1,4,8-9H2,2-3,5-6H3/t14-,15+/m1/s1 |
Inchi Key | MXDMETWAEGIFOE-CABCVRRESA-N |
3D Structure |
clogP | 4.75 |
TPSA | 0.00 |
HBD | 0 |
HBA | 0 |
Rotatable Bonds | 3 |
Aromatic Rings | 0 |
Heavy Atoms | 15 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 0 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9175 | Aristolochia argentina | No | Very High | Priestap, H. A., van Baren, C. M., Di Leo Lira, P., Coussio, J. D., & Bandoni, A. L. (2003). Volatile constituents of Aristolochia argentina. Phytochemistry, 63(2), 221–225. https://doi.org/10.1016/s0031-9422(02)00751-3 |
9426 | Helenium argentinum | No | Very High | Zunino, M. P., Newton, M. N., Maestri, D. M., Zygadlo, J. A., & Espinar, L. A. (1998). Essential Oil ofHelenium argentinumAriza. Journal of Essential Oil Research, 10(6), 651–653. https://doi.org/10.1080/10412905.1998.9700999 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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