Corynoxeine
AlkaPlorer ID: AK006401
Synonym: None
IUPAC Name: methyl (E)-2-[(3R,6'R,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+/m0/s1
InChIKey: MUVGVMUWMAGNSY-KAXDATADSA-N
Reference
A New 9‐Methoxyyohimbine‐Type Indole Alkaloid from Mitragyna africanus.
PubChem CID: 44568160
CAS: 630-94-4
LOTUS: LTS0012652
SuperNatural Ⅲ: SN0235936-12
NPASS: NPC148468
data_source: manually
Source
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 | nan | None | 10.1021/acs.jnatprod.8b00324 |
| Homo sapiens | HepG2 | Activity | nan | None | 10.1021/acs.jnatprod.8b00324 |
| Homo sapiens | HT-29 | Activity | nan | None | 10.1021/acs.jnatprod.8b00324 |
| Homo sapiens | MCF7 | Activity | nan | None | 10.1021/acs.jnatprod.8b00324 |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/np8000305 |
| None | Unchecked | IC50 | 15700.0 | nM | 10.1021/np8000305 |
| None | Unchecked | Inhibition | 37.9 | % | 10.1021/np8000305 |
| None | Unchecked | Inhibition | 38.7 | % | 10.1021/np8000305 |
| None | Unchecked | Inhibition | 74.5 | % | 10.1021/np8000305 |
| None | Unchecked | Inhibition | 86.9 | % | 10.1021/np8000305 |