Korundamine A
AlkaPlorer ID: AK000370
Synonym: None
IUPAC Name: (1R,3R)-5-[4-hydroxy-3-[1-hydroxy-4-[(3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
Structure
SMILES: COC1=C2C(C)=N[C@H](C)CC2=CC(O)=C1C1=CC(C2=CC(C3=C(O)C=C(O)C4=C3C[C@@H](C)N[C@@H]4C)=C3C=C(C)C=C(OC)C3=C2O)=C(O)C2=C(OC)C=C(C)C=C12
InChI: InChI=1S/C47H48N2O8/c1-20-10-27-29(41-33-15-23(4)49-25(6)40(33)35(51)19-36(41)52)17-31(45(53)43(27)37(12-20)55-7)32-18-30(28-11-21(2)13-38(56-8)44(28)46(32)54)42-34(50)16-26-14-22(3)48-24(5)39(26)47(42)57-9/h10-13,16-19,22-23,25,49-54H,14-15H2,1-9H3/t22-,23-,25-/m1/s1
InChIKey: NYSXYPCUWVSERK-VDKIKQQVSA-N
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？: 9.513439999999996
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | CCRF-CEM | EC50 | 8000.0 | nM | 10.1016/s0960-894x(98)00304-7 |
| Homo sapiens | Homo sapiens | EC50 | 6000.0 | nM | 10.1016/s0960-894x(98)00304-7 |
| Homo sapiens | Homo sapiens | EC50 | 10000.0 | nM | 10.1016/s0960-894x(98)00304-7 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | 2000.0 | nM | 10.1016/s0960-894x(98)00304-7 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1.1 | ug.mL-1 | 10.1016/s0960-894x(98)00304-7 |