Mitraphylline
AlkaPlorer ID: AK001622
Synonym: 'ConMedNP.1318', '', 'Uncarin D', 'MLS000728610', '7-Isopteropodine', 'MLS000728614', 'Rauniticine-allo-oxindole A', 'Mitraphylline', 'MLSMR', 'allo-Isopteropodine', 'Ajmalicine oxindole A', 'Ajmalicine oxindole B', 'Rubradinine', 'SMR000470795', 'SMR000470796', 'Isomitraphylline', 'allo-Pteropodine', 'Isoformosanine', '5171-37-9', 'Rauniticine oxindole A', 'Isopteropodine', '509-80-8', 'SMR000440716', 'Uncarine E', 'Uncarine F', 'Uncarine C', 'Uncarine D', 'Speciofiline', 'Uncarine A', 'Speciophylline', 'Uncarine B', 'Pteropodine', 'MLS000863603'
IUPAC Name: methyl (1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
Structure
SMILES: COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@]4(C(O)=NC5=C4C=CC=C5)[C@@H]3C[C@H]12
InChI: InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14+,18-,21+/m0/s1
InChIKey: JMIAZDVHNCCPDM-DAFCLMLCSA-N
Reference
Capillary Zone Electrophoretic Analysis of Oxindole Alkaloids from<i>Uncaria tomentosa</i>
PubChem CID: 94160
CAS: 509-80-8
LOTUS: LTS0042883
SuperNatural Ⅲ: SN0169328-18
NPASS: NPC298851
data_source: manually
Source
Properties Information
Molecule Weight: 368.4330000000001
TPSA？: 71.36
MolLogP？: 2.7120000000000006
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | GAMG | IC50 | 12300.0 | nM | 10.1016/j.ejmech.2016.08.011 |
| Homo sapiens | SK-N-BE(2) | IC50 | 20000.0 | nM | 10.1016/j.ejmech.2016.08.011 |
| None | ADMET | Drug degradation | -5.6 | % | 10.1021/acs.jnatprod.0c01163 |
| None | ADMET | Drug degradation | -4.8 | % | 10.1021/acs.jnatprod.0c01163 |
| None | ADMET | Drug degradation | -3.2 | % | 10.1021/acs.jnatprod.0c01163 |
| None | ADMET | Drug degradation | 1.6 | % | 10.1021/acs.jnatprod.0c01163 |
| None | ADMET | Drug degradation | 2.0 | % | 10.1021/acs.jnatprod.0c01163 |
| None | ADMET | Drug degradation | 12.2 | % | 10.1021/acs.jnatprod.0c01163 |
| None | ADMET | Drug degradation | 13.9 | % | 10.1021/acs.jnatprod.0c01163 |
| None | ADMET | Drug recovery | 80.0 | % | 10.1021/acs.jnatprod.0c01163 |
| None | ADMET | Drug recovery | 90.0 | % | 10.1021/acs.jnatprod.0c01163 |
| None | Unchecked | Potency | 354.8 | nM | None |