Unonopsine; 10,10'-Dimethoxy
AlkaPlorer ID: AK059773
Synonym: Bidebiline D
IUPAC Name: 17-methoxy-13-(17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14(19),15,17-heptaen-13-yl)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14(19),15,17-heptaene
Structure
SMILES: COC1=CC=C2C(C3=C4NCCC5=CC6=C(OCO6)C(=C54)C4=CC(OC)=CC=C34)=C3NCCC4=CC5=C(OCO5)C(=C43)C2=C1
InChI: InChI=1S/C36H28N2O6/c1-39-19-3-5-21-23(13-19)31-27-17(11-25-35(31)43-15-41-25)7-9-37-33(27)29(21)30-22-6-4-20(40-2)14-24(22)32-28-18(8-10-38-34(28)30)12-26-36(32)44-16-42-26/h3-6,11-14,37-38H,7-10,15-16H2,1-2H3
InChIKey: HXKKJKCNOAUCEJ-UHFFFAOYSA-N
Reference
New Antimalarial Bis-dehydroaporphine Alkaloids from <i>Polyalthia </i><i>d</i><i>ebilis</i>
PubChem CID: 10054040
CAS: 543706-59-8
LOTUS: LTS0251151
SuperNatural Ⅲ: SN0138123
NPASS: NPC156728
COCONUT: CNP0318300
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Polyalthia debilis | Polyalthia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Annona squamosa | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 584.6280000000002
TPSA？: 79.44000000000001
MolLogP？: 7.377000000000006
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 4.1 | ug.mL-1 | 10.1021/np020498d |