(9s)-4,5,14,15,16-pentamethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene
AlkaPlorer ID: AK003971
Synonym: '(9S)-4,5,14,15,16-pentamethoxy-10-azatetracyclo7.7.1.0²,⁷.0¹³,¹⁷heptadeca-1(16),2(7),3,5,13(17),14-hexaene'
IUPAC Name: (6aS)-1,2,3,9,10-pentamethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Structure
SMILES: COC1=CC2=C(C=C1OC)C1=C(OC)C(OC)=C(OC)C3=C1[C@H](C2)NCC3
InChI: InChI=1S/C21H25NO5/c1-23-15-9-11-8-14-17-12(6-7-22-14)19(25-3)21(27-5)20(26-4)18(17)13(11)10-16(15)24-2/h9-10,14,22H,6-8H2,1-5H3/t14-/m0/s1
InChIKey: MXTWKFQBYULPCY-AWEZNQCLSA-N
Reference
New Alkaloids from <i>Annona purpurea</i>
PubChem CID: 15286670
LOTUS: LTS0000080
SuperNatural Ⅲ: SN0238242-01
NPASS: NPC204947
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Nectandra | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 371.43300000000016
TPSA？: 58.18000000000001
MolLogP？: 3.139500000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1.51 | ug.mL-1 | 10.1021/np960195h |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1.75 | ug.mL-1 | 10.1021/np960195h |