Ancistrobrevine C
AlkaPlorer ID: AK061713
Synonym: '(+)-Ancistrobrevine C'
IUPAC Name: (3R)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol
Structure
SMILES: COC1=CC2=C(C(C)=N[C@H](C)C2)C(O)=C1C1=C(C)C=C(OC)C2=C(OC)C=CC=C12
InChI: InChI=1S/C25H27NO4/c1-13-10-19(29-5)23-17(8-7-9-18(23)28-4)21(13)24-20(30-6)12-16-11-14(2)26-15(3)22(16)25(24)27/h7-10,12,14,27H,11H2,1-6H3/t14-/m1/s1
InChIKey: BHXTVSSYPDITPL-CQSZACIVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ancistrocladus ileboensis | Ancistrocladus | Ancistrocladaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 405.4940000000002
TPSA？: 60.28
MolLogP？: 5.300220000000005
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Leishmania donovani | Leishmania donovani | IC50 | 146400.0 | nM | 10.1021/acs.jnatprod.6b00967 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 6510.0 | nM | 10.1021/acs.jnatprod.6b00967 |
| Rattus norvegicus | L6 | IC50 | 34850.0 | nM | 10.1021/acs.jnatprod.6b00967 |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 22700.0 | nM | 10.1021/acs.jnatprod.6b00967 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 104400.0 | nM | 10.1021/acs.jnatprod.6b00967 |
| None | Unchecked | Ratio IC50 | 5.4 | None | 10.1021/acs.jnatprod.6b00967 |