NatID | 548 |
Common Name | 5,4'-dihydroxy-3'-O-methyl-7-(γ,γ-dimethylallyloxy)dihydrofavonol |
Molecular Formula | C21H22O7 |
Chemical Class | Flavonoids > O-methylated flavonoids |
Molecular Weight | 386.137 g/mol |
Other names |
Smiles | COc1cc([C@H]2Oc3cc(OCC=C(C)C)cc(O)c3C(=O)[C@@H]2O)ccc1O |
Inchi | InChI=1S/C21H22O7/c1-11(2)6-7-27-13-9-15(23)18-17(10-13)28-21(20(25)19(18)24)12-4-5-14(22)16(8-12)26-3/h4-6,8-10,20-23,25H,7H2,1-3H3/t20-,21+/m0/s1 |
Inchi Key | FYMQKUDWXDDZCC-LEWJYISDSA-N |
3D Structure |
clogP | 3.13 |
TPSA | 105.45 |
HBD | 3 |
HBA | 7 |
Rotatable Bonds | 5 |
Aromatic Rings | 2 |
Heavy Atoms | 28 |
Aromatic Carbocycles | 2 |
Aromatic Heterocycles | 0 |
Number of NO | 7 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9387 | Pterocaulon alopecuroides | No | Very High | Alarcón, R., Flores, R., Ocampos, S., Lucatti, A., Galleguillo, L., Tonn, C., & Sosa, V. (2008). Flavonoids fromPterocaulon alopecuroideswith Antibacterial Activity. Planta Medica, 74(12), 1463–1467. https://doi.org/10.1055/s-2008-1081331 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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