Mitraphylline
AlkaPlorer ID: AK001611
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,6S,10aS)-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-PFDNRQJHSA-N
Reference
Alkaloids of Vinca rosea Linn.(Catharanthus roseus G. Don) XVIII. Root Alkaloids
PubChem CID: 9885603
CAS: 5171-37-9
LOTUS: LTS0209778
SuperNatural Ⅲ: SN0169328-11
NPASS: NPC210415
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 | Chromobox protein homolog 1 | Potency | 112201.8 | nM | None |
| Homo sapiens | Geminin | Potency | 29092.9 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 4466.8 | nM | None |
| None | Unchecked | Potency | 6513.1 | nM | None |