NatID | 1588 |
Common Name | NatID_1588 |
Molecular Formula | C18H16O7 |
Chemical Class | Flavonoids > O-methylated flavonoids |
Molecular Weight | 344.090 g/mol |
Other names | 855-96-9 |
Smiles | COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1O |
Inchi | InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3 |
Inchi Key | KLAOKWJLUQKWIF-UHFFFAOYSA-N |
3D Structure |
clogP | 2.90 |
TPSA | 98.36 |
HBD | 2 |
HBA | 7 |
Rotatable Bonds | 4 |
Aromatic Rings | 3 |
Heavy Atoms | 25 |
Aromatic Carbocycles | 2 |
Aromatic Heterocycles | 1 |
Number of NO | 7 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
10273 | Stevia procumbens | No | Low | Sosa, V. E., Gil, R., Oberti, J. C., Kulanthaivel, P., & Herz, W. (1985). Sesquiterpene Lactones and Flavones from Stevia procumbens. Journal of Natural Products, 48(2), 340–341. https://doi.org/10.1021/np50038a037 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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