(+)-O-methylisoeburnamine
AlkaPlorer ID: AK065316
Synonym: '', 'O-Methyl-(-)-eburnamine', 'O-Methyleburnamine', '(-)-O-Methyleburnamine'
IUPAC Name: (15S,17S,19S)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene
Structure
SMILES: CC[C@@]12CCCN3CCC4=C([C@@H]31)N(C1=CC=CC=C41)[C@@H](OC)C2
InChI: InChI=1S/C20H26N2O/c1-3-20-10-6-11-21-12-9-15-14-7-4-5-8-16(14)22(17(13-20)23-2)18(15)19(20)21/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3/t17-,19+,20-/m0/s1
InChIKey: BVWWUWXMEWKEMC-SXLOBPIMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melodinus tenuicaudatus | Melodinus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 310.4410000000001
TPSA？: 17.4
MolLogP？: 4.279400000000003
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 40000.0 | nM | 10.1021/np100086x |
| Homo sapiens | HL-60 | IC50 | 15900.0 | nM | 10.1021/np100086x |
| Homo sapiens | MCF7 | IC50 | 29300.0 | nM | 10.1021/np100086x |
| Homo sapiens | SMMC-7721 | IC50 | 22100.0 | nM | 10.1021/np100086x |
| Homo sapiens | SW480 | IC50 | 32200.0 | nM | 10.1021/np100086x |
| Rattus norvegicus | Aortic artery | EC50 | 10000.0 | nM | 10.1021/acs.jnatprod.9b00925 |