7'-O-demethylisocephaeline
AlkaPlorer ID: AK013820
Synonym: '', "(-)-7'-O-Demethylisocephaeline", "7'-O-Demethylisocephaeline", "7'-O-Demethylcephaeline", "(-)-7'-demethylisocephaeline"
IUPAC Name: (1S)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Structure
SMILES: CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@@H]1NCCC2=CC(O)=C(O)C=C21
InChI: InChI=1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-26(32-2)27(33-3)14-21(18)23(29)10-19(16)9-22-20-13-25(31)24(30)11-17(20)5-7-28-22/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3/t16-,19-,22-,23-/m0/s1
InChIKey: HGQNZTBYUKKJLH-CQOCVSQPSA-N
Reference
Antiparasitic Alkaloids from <i>Psychotria klugii</i>
PubChem CID: 10884902
LOTUS: LTS0096410
NPASS: NPC121275
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 452.59500000000025
TPSA？: 74.19000000000001
MolLogP？: 4.337400000000005
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | Activity | nan | None | 10.1021/np030086k |
| Homo sapiens | Aryl hydrocarbon receptor nuclear translocator | Activity | nan | None | 10.1021/np050029m |
| Homo sapiens | Hypoxia-inducible factor 1 alpha | Activity | nan | None | 10.1021/np050029m |
| Homo sapiens | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | Activity | nan | None | 10.1021/np050029m |
| Homo sapiens | T47D | Activity | nan | None | 10.1021/np050029m |
| Leishmania donovani | Leishmania donovani | IC50 | 7.5 | ug.mL-1 | 10.1021/np030086k |
| Leishmania donovani | Leishmania donovani | IC90 | 19.0 | ug.mL-1 | 10.1021/np030086k |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1.5 | ug.mL-1 | 10.1021/np030086k |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 3.067 | ug.mL-1 | 10.1021/np030086k |
| None | Unchecked | Ratio IC50 | 3.0 | None | 10.1021/np030086k |
| None | Unchecked | Ratio IC50 | 7.0 | None | 10.1021/np030086k |