Isocorynoxeine
AlkaPlorer ID: AK006405
Synonym: '', 'Corynoxeine'
IUPAC Name: methyl (E)-2-[(3S,6'S,7'S,8'aS)-6'-ethenyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
Structure
SMILES: C=C[C@@H]1CN2CC[C@@]3(C(O)=NC4=CC=CC=C43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
InChI: InChI=1S/C22H26N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h4-8,13-15,19H,1,9-12H2,2-3H3,(H,23,26)/b16-13+/t14-,15+,19+,22+/m1/s1
InChIKey: MUVGVMUWMAGNSY-NRAMRBJXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Uncaria macrophylla | Uncaria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Uncaria rhynchophylla | Uncaria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Uncaria sinensis | Uncaria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 382.46000000000015
TPSA？: 71.36
MolLogP？: 3.125700000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | Activity | None | None | 10.1021/acs.jnatprod.8b00324 |
| Homo sapiens | HepG2 | Activity | None | None | 10.1021/acs.jnatprod.8b00324 |
| Homo sapiens | HT-29 | Activity | None | None | 10.1021/acs.jnatprod.8b00324 |
| Homo sapiens | MCF7 | Activity | None | None | 10.1021/acs.jnatprod.8b00324 |