NatID | 693 |
Common Name | ilicic acid |
Molecular Formula | C15H24O3 |
Chemical Class | Prenol lipids > Sesquiterpenoids |
Molecular Weight | 252.173 g/mol |
Other names |
Smiles | C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1 |
Inchi | InChI=1S/C15H24O3/c1-10(13(16)17)11-5-8-14(2)6-4-7-15(3,18)12(14)9-11/h11-12,18H,1,4-9H2,2-3H3,(H,16,17)/t11-,12-,14-,15-/m1/s1 |
Inchi Key | FXKCXGBBUBCRPU-QHSBEEBCSA-N |
3D Structure |
clogP | 2.98 |
TPSA | 57.53 |
HBD | 2 |
HBA | 2 |
Rotatable Bonds | 2 |
Aromatic Rings | 0 |
Heavy Atoms | 18 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 3 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9400 | Flourensia oolepis | No | Very High | Guerreiro, E., Kavka, J., Giordano, O. S., & Gros, E. G. (1979). Sesquiterpenoids and flavonoids from Flourensia oolepis. Phytochemistry, 18(7), 1235–1237. https://doi.org/10.1016/0031-9422(79)80148-x 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 |
9758 | Tessaria absinthioides | No | Unknown | León, L. G., Donadel, O. J., Tonn, C. E., & Padrón, J. M. (2009). Tessaric acid derivatives induce G2/M cell cycle arrest in human solid tumor cell lines. Bioorganic & Medicinal Chemistry, 17(17), 6251–6256. https://doi.org/10.1016/j.bmc.2009.07.053 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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