(+)-aspidocarpine
AlkaPlorer ID: AK020271
Synonym: '', 'Aspidocarpine'
IUPAC Name: 1-[(1R,9R,12R,19R)-12-ethyl-6-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone
Structure
SMILES: CC[C@@]12CCCN3CC[C@]4(C5=C(C(O)=C(OC)C=C5)N(C(C)=O)[C@@H]4CC1)[C@H]32
InChI: InChI=1S/C22H30N2O3/c1-4-21-9-5-12-23-13-11-22(20(21)23)15-6-7-16(27-3)19(26)18(15)24(14(2)25)17(22)8-10-21/h6-7,17,20,26H,4-5,8-13H2,1-3H3/t17-,20-,21-,22-/m1/s1
InChIKey: CITPXCNSMZMNIW-BRKWEVRTSA-N
Reference
Aspidosperma de Guyane: Alcaloïdes de Aspidosperma marcgravianum
PubChem CID: 12308697
LOTUS: LTS0045520
SuperNatural Ⅲ: SN0046849-01
NPASS: NPC161804
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspidosperma desmanthum | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 370.49300000000017
TPSA？: 53.010000000000005
MolLogP？: 3.432000000000002
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 19.0 | nM | 10.1016/j.bmc.2009.02.050 |