Haplophyllidine
AlkaPlorer ID: AK022802
Synonym: '', 'Haplophyllidine', 'haplophyllidine', 'MLS000120843', 'MLSMR', '4,8-Dimethoxy-8-(3-methyl-but-2-enyl)-5,6,7,8-tetrahydro-furo2,3-bquinolin-7-ol', 'SMR000118238', 'MLS002539658'
IUPAC Name: (7R,8R)-4,8-dimethoxy-8-(3-methylbut-2-enyl)-6,7-dihydro-5H-furo[2,3-b]quinolin-7-ol
Structure
SMILES: COC1=C2CC[C@@H](O)[C@](CC=C(C)C)(OC)C2=NC2=C1C=CO2
InChI: InChI=1S/C18H23NO4/c1-11(2)7-9-18(22-4)14(20)6-5-12-15(21-3)13-8-10-23-17(13)19-16(12)18/h7-8,10,14,20H,5-6,9H2,1-4H3/t14-,18+/m1/s1
InChIKey: RNZIQNGNLJSLHV-KDOFPFPSSA-N
Reference
Acetylhaplophyllidine, a new alkaloid fromHaplophyllum perforatum
PubChem CID: 442910
CAS: 18063-21-3
LOTUS: LTS0014853
SuperNatural Ⅲ: SN0330572-02
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haplophyllum acutifolium | Haplophyllum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 317.38500000000005
TPSA？: 64.72
MolLogP？: 3.3415000000000017
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | Activity | 50.0 | % | 10.1016/j.bmc.2020.115820 |
| Mus musculus | Mus musculus | Activity | 100.0 | % | 10.1016/j.bmc.2020.115820 |
| None | Unchecked | Activity | 80.0 | % | 10.1016/j.bmc.2020.115820 |
| None | Unchecked | Activity | 100.0 | % | 10.1016/j.bmc.2020.115820 |