General Information of the Compound
| Compound ID |
CP0054979
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| Compound Name |
DIGOXIN
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| Synonyms |
Digitek (TN)
(3beta,5beta,12beta)-3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide
12beta-Hydroxydigitoxin
20830-75-5
4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8700^{2,7}
CHEBI:4551
Cardiogoxin
Davoxin
Digacin
Digosin
Digossina
Digoxin
Digoxin (JP15/USP)
Digoxin Nativelle
Digoxin Pediatric
Digoxina
Digoxine
Digoxinum
Dilanacin
Dynamos
Eudigox
Hemigoxine Nativelle
Homolle's digitalin
Lanacordin
Lanacrist
Lanicor
Lanoxicaps
Lanoxicaps (TN)
Lanoxin
Lanoxin (TN)
Lanoxin PG
Lenoxin
MFCD00003674
MLS000069819
Mapluxin
Neo-Lanicor
Rougoxin
SK-Digoxin
SMR000059217
UNII-73K4184T59
Vanoxin
[3H]digoxin
digoxin
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| Structure |
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| Formula |
C41H64O14
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| Molecular Weight |
780.949
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| Canonical SMILES |
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C
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| InChI |
InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
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| InChIKey |
LTMHDMANZUZIPE-PUGKRICDSA-N
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| CAS |
20830-75-5
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT01685, ATP-dependent translocase ABCB1
Protein ID: PT06079, ATP-dependent translocase ABCB1
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT05439, Nuclear receptor ROR-gamma
Protein ID: PT06124, Paired box protein Pax-8
Protein ID: PT06133, Solute carrier organic anion transporter family member 1A4
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
Protein ID: PT03657, Solute carrier organic anion transporter family member 1B3
Protein ID: PT06337, Solute carrier organic anion transporter family member 4C1
Protein ID: PT06838, Solute carrier organic anion transporter family member 4C1
Clinical Information about the Compound