Ancistrocladidine
AlkaPlorer ID: AK039740
Synonym: None
IUPAC Name: 2-[(3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol
Structure
SMILES: COC1=C(C2=C(C)C=C3C=CC=C(OC)C3=C2O)C(OC)=C2C(C)=N[C@@H](C)CC2=C1
InChI: InChI=1S/C25H27NO4/c1-13-10-16-8-7-9-18(28-4)22(16)24(27)20(13)23-19(29-5)12-17-11-14(2)26-15(3)21(17)25(23)30-6/h7-10,12,14,27H,11H2,1-6H3/t14-/m0/s1
InChIKey: CESMSNGGFQBVOV-AWEZNQCLSA-N
Reference
PubChem CID: 193880
CAS: 52659-52-6
LOTUS: LTS0231366
SuperNatural Ⅲ: SN0043743-01
NPASS: NPC206736
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ancistrocladus heyneanus | Ancistrocladus | Ancistrocladaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ancistrocladus tanzaniensis | 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 | 2.9 | ug.mL-1 | 10.1021/np0340549 |
| Leishmania major | Leishmania major | IC50 | 100000.0 | nM | 10.1128/aac.00936-06 |
| Mus musculus | Mus musculus | IC50 | 100000.0 | nM | 10.1128/aac.00936-06 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.3 | ug.mL-1 | 10.1021/np0340549 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1.9 | ug.mL-1 | 10.1021/np0340549 |
| Rattus norvegicus | L6 | MIC | 28.3 | ug.mL-1 | 10.1021/np0340549 |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 2.0 | ug.mL-1 | 10.1021/np0340549 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 23.4 | ug.mL-1 | 10.1021/np0340549 |
| None | ADMET | Ratio IC50 | nan | None | 10.1128/aac.00936-06 |