2-(3'4'-methylenedioxyphenylethyl)-Quinoline
AlkaPlorer ID: AK022522
Synonym: None
IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline
Structure
SMILES: C1=CC2=CC=C(CCC3=CC=C4OCOC4=C3)N=C2C=C1
InChI: InChI=1S/C18H15NO2/c1-2-4-16-14(3-1)7-9-15(19-16)8-5-13-6-10-17-18(11-13)21-12-20-17/h1-4,6-7,9-11H,5,8,12H2
InChIKey: ZDRLPWFUZOCXJT-UHFFFAOYSA-N
Reference
PubChem CID: 10084876
CAS: 124902-95-0
LOTUS: LTS0189740
SuperNatural Ⅲ: SN0467629
COCONUT: CNP0164701
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Angostura bracteata | Angostura | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 277.323
TPSA？: 31.35
MolLogP？: 3.748700000000002
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Human T-cell leukemia virus type I | Human T-cell leukemia virus type I | Inhibition | 50.0 | % | 10.1016/s0960-894x(02)01085-5 |
| Leishmania braziliensis | Leishmania braziliensis | IC90 | 100.0 | ug.mL-1 | 10.1021/np50099a013 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC90 | 100.0 | ug.mL-1 | 10.1021/np50099a013 |