NatID | 1512 |
Common Name | NatID_1512 |
Molecular Formula | C16H12O8 |
Chemical Class | Flavonoids > O-methylated flavonoids |
Molecular Weight | 332.053 g/mol |
Other names | 64190-88-1 |
Smiles | COc1c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c2c1=O |
Inchi | InChI=1S/C16H12O8/c1-23-16-14(22)11-10(5-9(19)12(20)13(11)21)24-15(16)6-2-3-7(17)8(18)4-6/h2-5,17-21H,1H3 |
Inchi Key | QZAXKZRZMAXPSF-UHFFFAOYSA-N |
3D Structure |
clogP | 2.00 |
TPSA | 140.59 |
HBD | 5 |
HBA | 8 |
Rotatable Bonds | 2 |
Aromatic Rings | 3 |
Heavy Atoms | 24 |
Aromatic Carbocycles | 2 |
Aromatic Heterocycles | 1 |
Number of NO | 8 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
10189 | Pterocaulon purpurascens | No | Low | Debenedetti, S. L., Nadinic, E. L., Gomez, M. A., & Coussio, J. D. (1987). Polyphenols Isolated from Pterocaulon purpurascens, I. 6-Hydroxyflavonoids. Journal of Natural Products, 50(3), 512–513. https://doi.org/10.1021/np50051a033 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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