Korupensamine A
AlkaPlorer ID: AK009170
Synonym: None
IUPAC Name: (1R,3R)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
Structure
SMILES: COC1=CC(C)=CC2=C(C3=C(O)C=C(O)C4=C3C[C@@H](C)N[C@@H]4C)C=CC(O)=C12
InChI: InChI=1S/C23H25NO4/c1-11-7-15-14(5-6-17(25)23(15)20(8-11)28-4)22-16-9-12(2)24-13(3)21(16)18(26)10-19(22)27/h5-8,10,12-13,24-27H,9H2,1-4H3/t12-,13-/m1/s1
InChIKey: JOXWHCNNDTWJPX-CHWSQXEVSA-N
Reference
PubChem CID: 392421
CAS: 158182-18-4
LOTUS: LTS0003089
SuperNatural Ⅲ: SN0171313-03
NPASS: NPC209377
Source
Properties Information
Molecule Weight: 379.4560000000001
TPSA？: 81.95
MolLogP？: 4.535820000000004
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Leishmania donovani | Leishmania donovani | IC50 | 25.1 | ug.mL-1 | 10.1021/np010622d |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.024 | ug.mL-1 | 10.1021/np000199t |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.072 | ug.mL-1 | 10.1021/np000199t |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.164 | ug.mL-1 | 10.1021/np010622d |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 820.0 | nM | 10.1021/acs.jnatprod.7b01041 |
| Rattus norvegicus | L6 | MIC | 38.0 | ug.mL-1 | 10.1021/np010622d |
| Rattus norvegicus | L6 | MIC | 100.0 | ug.mL-1 | 10.1021/np000199t |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 1.87 | ug.mL-1 | 10.1021/np010622d |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 14.5 | ug.mL-1 | 10.1021/np010622d |