[2-(16-{3-[2-(dimethylamino)ethyl]-1H-indol-2-yl}-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,?.0¹?,¹?]hexadeca-2,4,6,8,11-pentaen-8-yl)ethyl]dimethylamine
AlkaPlorer ID: AK319555
Synonym: None
IUPAC Name: 2-[2-[(6R,6aS,10aS)-11-[2-(dimethylamino)ethyl]-7,7,9-trimethyl-6,6a,8,10a-tetrahydroisoindolo[2,1-a]indol-6-yl]-1H-indol-3-yl]-N,N-dimethylethanamine
Structure
SMILES: CC1=C[C@@H]2C3=C(CCN(C)C)C4=CC=CC=C4N3[C@@H](C3=C(CCN(C)C)C4=CC=CC=C4N3)[C@@H]2C(C)(C)C1
InChI: InChI=1S/C34H44N4/c1-22-20-27-30(34(2,3)21-22)33(31-25(16-18-36(4)5)23-12-8-10-14-28(23)35-31)38-29-15-11-9-13-24(29)26(32(27)38)17-19-37(6)7/h8-15,20,27,30,33,35H,16-19,21H2,1-7H3/t27-,30+,33+/m0/s1
InChIKey: KTNDVQALWXIUSO-LTXBTDFWSA-N
Reference
Trois nouveaux alcaloïdes bis-indoliques de Flindersia fo urnieri
PubChem CID: 57412131
LOTUS: LTS0080247
NPASS: NPC269986
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Flindersia pimenteliana | Flindersia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 508.7540000000004
TPSA？: 27.2
MolLogP？: 7.009800000000008
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HEK293 | IC50 | 5400.0 | nM | 10.1021/acs.jnatprod.7b00587 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 80.0 | nM | 10.1016/j.ejmech.2019.07.019 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 190.0 | nM | 10.1021/acs.jnatprod.7b00587 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 670.0 | nM | 10.1021/acs.jnatprod.7b00587 |
| None | Unchecked | Ratio IC50 | 8.0 | None | 10.1021/acs.jnatprod.7b00587 |