8-Oxocoptisine
AlkaPlorer ID: AK061148
Synonym: ''
IUPAC Name: 5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-one
Structure
SMILES: O=C1C2=C3OCOC3=CC=C2C=C2C3=CC4=C(C=C3CCN21)OCO4
InChI: InChI=1S/C19H13NO5/c21-19-17-11(1-2-14-18(17)25-9-22-14)5-13-12-7-16-15(23-8-24-16)6-10(12)3-4-20(13)19/h1-2,5-7H,3-4,8-9H2
InChIKey: UCAFJBSQKXVPDX-UHFFFAOYSA-N
Reference
Alkaloidal constituents of Fumaria indica
PubChem CID: 5245667
CAS: 19716-61-1
LOTUS: LTS0035717
SuperNatural Ⅲ: SN0366352
COCONUT: CNP0235960
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Coptis japonica | Coptis | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 335.31500000000017
TPSA？: 58.92
MolLogP？: 2.6820000000000004
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | GES1 | IC50 | 150000.0 | nM | 10.1016/j.bmc.2022.116705 |
| Homo sapiens | HGC-27 | IC50 | 54600.0 | nM | 10.1016/j.bmc.2022.116705 |
| Homo sapiens | MGC-803 | IC50 | 61500.0 | nM | 10.1016/j.bmc.2022.116705 |
| Homo sapiens | X-box-binding protein 1 | Activity | nan | None | 10.1021/acs.jmedchem.5b00964 |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1021/acs.jmedchem.5b00964 |
| Rattus norvegicus | X-box-binding protein 1 | EC50 | 79.8 | nM | 10.1021/acs.jnatprod.5b00807 |
| Rattus norvegicus | X-box-binding protein 1 | EC50 | 80.0 | nM | 10.1021/acs.jnatprod.5b00104 |
| Rattus norvegicus | X-box-binding protein 1 | FC | 1.07 | None | 10.1021/acs.jnatprod.5b00807 |
| Rattus norvegicus | X-box-binding protein 1 | FC | 2.2 | None | 10.1021/acs.jnatprod.5b00104 |