Bucharidine
AlkaPlorer ID: AK379256
Synonym: None
IUPAC Name: 4-hydroxy-3-[1-(5-hydroxy-2,6,6-trimethyloxan-2-yl)ethyl]-1H-quinolin-2-one
Structure
SMILES: CC(C1=C(O)C2=CC=CC=C2NC1=O)C1(C)CCC(O)C(C)(C)O1
InChI: InChI=1S/C19H25NO4/c1-11(19(4)10-9-14(21)18(2,3)24-19)15-16(22)12-7-5-6-8-13(12)20-17(15)23/h5-8,11,14,21H,9-10H2,1-4H3,(H2,20,22,23)
InChIKey: FNNBYKQCHDQXOO-UHFFFAOYSA-N
Reference
Haplobucharine — A new alkaloid from Haplophyllum bucharicum
PubChem CID: 54680116
CAS: 25865-94-5
LOTUS: LTS0062651
COCONUT: CNP0151738.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haplophyllum bucharicum | Haplophyllum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 331.41200000000003
TPSA？: 82.55
MolLogP？: 3.0458000000000016
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Chromobox protein homolog 1 | Potency | 100000.0 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 16360.1 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 25929.0 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | -35.0 | % | 10.6019/CHEMBL4888484 |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 10417.9 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 16511.3 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Z score | 4.06 | None | 10.6019/CHEMBL4888484 |