NatID | 1308 |
Common Name | NatID_1308 |
Molecular Formula | C19H24O3 |
Chemical Class | Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives |
Molecular Weight | 300.173 g/mol |
Other names |
Smiles | CC(C)=CCc1cc(/C=C/C(=O)O)cc(CC=C(C)C)c1O |
Inchi | InChI=1S/C19H24O3/c1-13(2)5-8-16-11-15(7-10-18(20)21)12-17(19(16)22)9-6-14(3)4/h5-7,10-12,22H,8-9H2,1-4H3,(H,20,21)/b10-7+ |
Inchi Key | KABCFARPAMSXCC-JXMROGBWSA-N |
3D Structure |
clogP | 4.51 |
TPSA | 57.53 |
HBD | 2 |
HBA | 2 |
Rotatable Bonds | 6 |
Aromatic Rings | 1 |
Heavy Atoms | 22 |
Aromatic Carbocycles | 1 |
Aromatic Heterocycles | 0 |
Number of NO | 3 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9624 | Baccharis grisebachii | No | Very High | Feresin, G. E., Tapia, A., Gimenez, A., Ravelo, A. G., Zacchino, S., Sortino, M., & Schmeda-Hirschmann, G. (2003). Constituents of the Argentinian medicinal plant Baccharis grisebachii and their antimicrobial activity. Journal of Ethnopharmacology, 89(1), 73–80. https://doi.org/10.1016/s0378-8741(03)00259-9 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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