NatID | 165 |
Nombre Común | Centaureidin |
Fórmula Molecular | C18H16O8 |
Tipo Químico | Flavonoids > O-methylated flavonoids |
Peso Molecular | 360.085 g/mol |
Otros nombres |
Smiles | COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1O |
Inchi | InChI=1S/C18H16O8/c1-23-11-5-4-8(6-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,19-21H,1-3H3 |
Inchi Key | BZXULYMZYPRZOG-UHFFFAOYSA-N |
Estructura 3D |
clogP | 2.60 |
TPSA | 118.59 |
HBD | 3 |
HBA | 8 |
Enlaces Rotables | 4 |
Anillos aromáticos | 3 |
Átomos pesados | 26 |
Carbociclos Aromáticos | 2 |
Heterociclos Aromáticos | 1 |
Número de NO | 8 |
EID | Fuente | Semisintético? | Confidence level | Referencias |
---|---|---|---|---|
10015 | Acanthostyles buniifolius | No | High | Muschietti, L., Gorzalczany, S., Ferraro, G., Acevedo, C., & Martino, V. (2001). Phenolic Compounds with Anti-Inflammatory Activity fromEupatorium buniifolium. Planta Medica, 67(08), 743–744. https://doi.org/10.1055/s-2001-18355 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
---|---|---|---|---|
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