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137893-48-2 | 6,8-Isoquinolinediol, 5,5'-(1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl[2,2'-binaphthalene]-4,4'-diyl)bis[1,2,3,4-tetrahydro-1,3-dimethyl-, (1R,1'R,3R,3'R,5R,5'S)-
CAS No: 137893-48-2 Catalog No: AG00141T MDL No:
Product Description
Catalog Number:
AG00141T
Chemical Name:
6,8-Isoquinolinediol, 5,5'-(1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl[2,2'-binaphthalene]-4,4'-diyl)bis[1,2,3,4-tetrahydro-1,3-dimethyl-, (1R,1'R,3R,3'R,5R,5'S)-
CAS Number:
137893-48-2
Molecular Formula:
C46H48N2O8
Molecular Weight:
756.8819
IUPAC Name:
5-[3-[4-(6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
InChI:
InChI=1S/C46H48N2O8/c1-19-9-25-27(41-31-13-21(3)47-23(5)39(31)33(49)17-35(41)51)15-29(45(53)43(25)37(11-19)55-7)30-16-28(26-10-20(2)12-38(56-8)44(26)46(30)54)42-32-14-22(4)48-24(6)40(32)34(50)18-36(42)52/h9-12,15-18,21-24,47-54H,13-14H2,1-8H3
InChI Key:
GMLBVLXDRNJFGR-UHFFFAOYSA-N
SMILES:
COc1cc(C)cc2c1c(O)c(cc2c1c(O)cc(c2c1CC(C)NC2C)O)c1cc(c2c(O)cc(c3c2CC(C)NC3C)O)c2c(c1O)c(OC)cc(c2)C
Properties
Complexity:
1240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
756.341g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
756.896g/mol
Monoisotopic Mass:
756.341g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
Literature
| Title | Journal |
|---|---|
| HIV-inhibitory michellamine-type dimeric naphthylisoquinoline alkaloids from the Central African liana Ancistrocladus congolensis. | Phytochemistry 20160801 |
| Identification of hepatitis C virus inhibitors targeting different aspects of infection using a cell-based assay. | Antimicrobial agents and chemotherapy 20121201 |
| Michellamine B, a novel plant alkaloid, inhibits human immunodeficiency virus-induced cell killing by at least two distinct mechanisms. | Antimicrobial agents and chemotherapy 19950201 |
| Anti-HIV michellamines from Ancistrocladus korupensis. | Journal of medicinal chemistry 19940610 |
| Novel alkaloids from the tropical plant Ancistrocladus abbreviatus inhibit cell killing by HIV-1 and HIV-2. | Journal of medicinal chemistry 19911201 |
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