Michellamine D
AlkaPlorer ID: AK053894
Synonym: None
IUPAC Name: (1R,3R)-5-[4-hydroxy-3-[1-hydroxy-4-[(1R,3R)-6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-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=CC(O)=C(C2=CC(C3=CC(C4=C(O)C=C(O)C5=C4C[C@@H](C)N[C@@H]5C)=C4C=C(C)C=C(OC)C4=C3O)=C(O)C3=C(OC)C=C(C)C=C23)C2=C1[C@@H](C)N[C@H](C)C2
InChI: InChI=1S/C47H50N2O8/c1-20-10-26-28(42-32-14-22(3)48-24(5)40(32)34(50)18-35(42)51)16-30(46(53)44(26)37(12-20)55-7)31-17-29(27-11-21(2)13-38(56-8)45(27)47(31)54)43-33-15-23(4)49-25(6)41(33)39(57-9)19-36(43)52/h10-13,16-19,22-25,48-54H,14-15H2,1-9H3/t22-,23-,24-,25-/m1/s1
InChIKey: ZWXPIGTZTDZJFU-ZGFBMJKBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ancistrocladus korupensis | Ancistrocladus | Ancistrocladaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 770.923
TPSA？: 152.9
MolLogP？: 9.355040000000004
Number of H-Donors: 7
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | CEM-SS | IC50 | 17000.0 | nM | 10.1021/np9700679 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | 3000.0 | nM | 10.1021/np9700679 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | 10000.0 | nM | 10.1021/np9700679 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | 11000.0 | nM | 10.1021/np9700679 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | 20000.0 | nM | 10.1021/np9700679 |