Bucharaine
AlkaPlorer ID: AK486146
Synonym: None
IUPAC Name: 4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-1H-quinolin-2-one
Structure
SMILES: C/C(=C\COC1=CC(=O)NC2=CC=CC=C12)CCC(O)C(C)(C)O
InChI: InChI=1S/C19H25NO4/c1-13(8-9-17(21)19(2,3)23)10-11-24-16-12-18(22)20-15-7-5-4-6-14(15)16/h4-7,10,12,17,21,23H,8-9,11H2,1-3H3,(H,20,22)/b13-10+
InChIKey: PBWIOAMUZKICDN-JLHYYAGUSA-N
Reference
Haplobucharine — A new alkaloid from Haplophyllum bucharicum
PubChem CID: 5338262
CAS: 21059-47-2
LOTUS: LTS0208971
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？: 82.55000000000001
MolLogP？: 2.765200000000001
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | 4'-phosphopantetheinyl transferase ffp | Potency | 89125.1 | nM | None |
| Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Potency | 31622.8 | nM | None |
| Homo sapiens | Glycoprotein hormones alpha chain | Potency | 10000.0 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 19952.6 | nM | None |
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 22387.2 | nM | None |
| Homo sapiens | Muscleblind-like protein 1 | Potency | 39810.7 | nM | None |
| Homo sapiens | Survival motor neuron protein | Potency | 125.9 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 12995.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 23109.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 26608.6 | nM | None |
| None | Unchecked | Potency | 316.2 | nM | None |
| None | Unchecked | Potency | 11220.2 | nM | None |