Desmorostratine
AlkaPlorer ID: AK092174
Synonym: None
IUPAC Name: (12R)-7,15,16-trimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14(19),15,17-hexaene
Structure
SMILES: COC1=C(OC)C2=C(C=C1)C1=C3C(=C(OC)C4=C1OCO4)CCN[C@@H]3C2
InChI: InChI=1S/C20H21NO5/c1-22-14-5-4-10-12(17(14)23-2)8-13-15-11(6-7-21-13)18(24-3)20-19(16(10)15)25-9-26-20/h4-5,13,21H,6-9H2,1-3H3/t13-/m1/s1
InChIKey: CUYKKCDYAVFQQG-CYBMUJFWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Desmos | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Annona squamosa | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 355.3900000000001
TPSA？: 58.18000000000001
MolLogP？: 2.851000000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 2400.0 | nM | 10.1021/np8004437 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 3600.0 | nM | 10.1021/np8004437 |