Korundamine A
AlkaPlorer ID: AK002807
Synonym: None
IUPAC Name: (1R,3R)-5-[5-hydroxy-6-[1-hydroxy-4-[(3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-8-methoxy-6-methylnaphthalen-2-yl]-4-methoxy-2-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
Structure
SMILES: C[C@@H]1CC2=C(C(=CC(=C2[C@H](N1)C)O)O)C3=C4C=CC(=C(C4=C(C=C3C)OC)O)C5=CC(=C6C=C(C=C(C6=C5O)OC)C)C7=C(C=C8C[C@H](N=C(C8=C7OC)C)C)O
InChI: InChI=1S/C47H48N2O8/c1-20-12-29-30(42-33(50)17-26-15-22(3)48-24(5)39(26)47(42)57-9)18-31(46(54)44(29)36(13-20)55-7)27-10-11-28-38(21(2)14-37(56-8)43(28)45(27)53)41-32-16-23(4)49-25(6)40(32)34(51)19-35(41)52/h10-14,17-19,22-23,25,49-54H,15-16H2,1-9H3/t22-,23-,25-/m1/s1
InChIKey: HYSCJCHIYVJIBE-VDKIKQQVSA-N
Reference
PubChem CID: 136016495
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ancistrocladus korupensis | Ancistrocladus | Ancistrocladaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 768.907
TPSA？: 153.23
MolLogP？: 9.513440000000001
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1.1 | ug.mL-1 | 10.1016/j.bmc.2009.02.050 |