NatID | 1024 |
Common Name | NatID_1024 |
Molecular Formula | C29H38O8 |
Chemical Class | Organooxygen compounds > Carbonyl compounds |
Molecular Weight | 514.257 g/mol |
Other names |
Smiles | CCCC(=O)C1=C(O)C(C)(CC=C(C)C)C(O)=C(Cc2c(O)c(C(=O)CCC)c(O)c(C)c2OC)C1=O |
Inchi | InChI=1S/C29H38O8/c1-8-10-19(30)21-23(32)16(5)26(37-7)17(24(21)33)14-18-25(34)22(20(31)11-9-2)28(36)29(6,27(18)35)13-12-15(3)4/h12,32-33,35-36H,8-11,13-14H2,1-7H3 |
Inchi Key | BXXHLIGCIPLUKH-UHFFFAOYSA-N |
3D Structure |
clogP | 5.88 |
TPSA | 141.36 |
HBD | 4 |
HBA | 8 |
Rotatable Bonds | 11 |
Aromatic Rings | 1 |
Heavy Atoms | 37 |
Aromatic Carbocycles | 1 |
Aromatic Heterocycles | 0 |
Number of NO | 8 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9143 | Elaphoglossum gayanum | No | High | Socolsky, C., Borkosky, S. A., Hernández de Terán, M., Asakawa, Y., & Bardón, A. (2010). Phloroglucinols from the Argentine Ferns Elaphoglossum gayanum and E. piloselloides. Journal of Natural Products, 73(5), 901–904. https://doi.org/10.1021/np1000208 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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