NatID | 1556 |
Common Name | NatID_1556 |
Molecular Formula | C3H6O2 |
Chemical Class | Carboxylic acids and derivatives > Carboxylic acids |
Molecular Weight | 74.037 g/mol |
Other names | 79-09-4 |
Smiles | CCC(=O)O |
Inchi | InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) |
Inchi Key | XBDQKXXYIPTUBI-UHFFFAOYSA-N |
3D Structure |
clogP | 0.48 |
TPSA | 37.30 |
HBD | 1 |
HBA | 1 |
Rotatable Bonds | 1 |
Aromatic Rings | 0 |
Heavy Atoms | 5 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 2 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
10237 | Xanthium orientale | No | Low | Taher, H. A., Ubiergo, G. O., & Talenti, E. C. J. (1985). Constituents of the Essential Oil of Xanthium cavanillesii. Journal of Natural Products, 48(5), 857–857. https://doi.org/10.1021/np50041a038 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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