NatID | 615 |
Common Name | NatID_615 |
Molecular Formula | C18H32O2Si |
Chemical Class | Prenol lipids > Sesquiterpenoids |
Molecular Weight | 308.217 g/mol |
Other names |
Smiles | C=C(C=O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O[Si](C)(C)C)[C@@H]2C1 |
Inchi | InChI=1S/C18H32O2Si/c1-14(13-19)15-8-11-17(2)9-7-10-18(3,16(17)12-15)20-21(4,5)6/h13,15-16H,1,7-12H2,2-6H3/t15-,16-,17-,18-/m1/s1 |
Inchi Key | UBLNKBPILVNREJ-BRSBDYLESA-N |
3D Structure |
clogP | 4.96 |
TPSA | 26.30 |
HBD | 0 |
HBA | 2 |
Rotatable Bonds | 4 |
Aromatic Rings | 0 |
Heavy Atoms | 21 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 2 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9703 | Flourensia oolepis | No | Unknown | Donadel, O. J., Guerreiro, E., María, A. O., Wendel, G., Enriz, R. D., Giordano, O. S., & Tonn, C. E. (2005). Gastric cytoprotective activity of ilicic aldehyde: Structure–activity relationships. Bioorganic & Medicinal Chemistry Letters, 15(15), 3547–3550. https://doi.org/10.1016/j.bmcl.2005.05.053 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
---|---|---|---|---|
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