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⚗️ Ingredient

Digitoxin

1
Clinical Trials
0
Meta-Analyses
5
PubMed References
Top Conditions Studied with Digitoxin
📋 Sample Trials
NCT00782288
Phase II Study of Digitoxin to Treat Cystic Fibrosis
Completed · Phase 2
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
PMID 28916653
YAP Suppresses Lung Squamous Cell Carcinoma Progression via Deregulation of the DNp63-GPX2 Axis and ROS Accumulation
Cancer Res · 2017
PMID 28688145
Therapeutic concentrations of digitoxin inhibit endothelial focal adhesion kinase and angiogenesis induced by different growth factors
Br J Pharmacol · 2017
PMID 24104877
Ryanodine receptor phosphorylation by oxidized CaMKII contributes to the cardiotoxic effects of cardiac glycosides
Cardiovasc Res · 2014
⚗️ All Ingredient data fields for Digitoxin
⚗️ Identity
Name
Digitoxin
Aliases / Synonyms
71-63-6; Digitoxoside; Crystodigin; Digitoxinum; Unidigin; Digitophyllin; Carditoxin; Cristapurat; Digitoksin
🧪 Chemistry
Molecular Weight
764.9500
LogP
3.2473
Drug-likeness
0.188
H-Bond Acceptors
13
H-Bond Donors
5
Rotatable Bonds
7
🔬 Structures
Canonical SMILES
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O
Isomeric SMILES
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O
InChIKey
WDJUZGPOPHTGOT-XUDUSOBPSA-N
InChI
InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
🔗 External References
PubChem CID
NPASS
NPC72260
HIT
C0019
TCMID
5525
TCM-ID
4919
🔍 Raw view — every non-empty column on this row (30 fields)
name
Digitoxin
common names
71-63-6; Digitoxoside; Crystodigin; Digitoxinum; Unidigin; Digitophyllin; Carditoxin; Cristapurat; Digitoksin
herb ingredient id
HBIN023784
canonical smiles
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O
isomeric smiles
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O
inchi
InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
inchikey
WDJUZGPOPHTGOT-XUDUSOBPSA-N
mol wt
764.9500
num h acceptors
13
num h donors
5
mol logp
3.2473
num rotatable bonds
7
drug likeness
0.188
tcmid ingredient id
5525
tcm id ingredient id
4919
pubchem cid
441207
npass id
NPC72260
hit id
C0019

🏥 Linked Health Topics

1 · diseases via target pathways

📋 Clinical Trials

1 · subject of clinical study
NCT00782288 Phase II Study of Digitoxin to Treat Cystic Fibrosis
→ Cystic Fibrosis

📚 PubMed References

5 · cited research
PMID 28916653 YAP Suppresses Lung Squamous Cell Carcinoma Progression via Deregulation of the
Cancer Res
PMID 28688145 Therapeutic concentrations of digitoxin inhibit endothelial focal adhesion kinas
Br J Pharmacol
PMID 24104877 Ryanodine receptor phosphorylation by oxidized CaMKII contributes to the cardiot
Cardiovasc Res
PMID 32468057 Digitoxin inhibits HeLa cell growth through the induction of G2/M cell cycle arr
Int J Oncol
PMID 34717917 Digitoxin promotes apoptosis and inhibits proliferation and migration by reducin
Chem Biol Interact
How relationships are computed
  • Clinical Trials / Meta-Analyses / References: direct foreign-key link via subject_entity_id (Phase 2d wireup)
  • Formula ↔ Herbs: text bridge via formulas.herbs_in_pinyin matching herbs.pinyin_name
  • Herb ↔ Ingredient: ACTIVE — direct link via herb_ingredients
  • Ingredient ↔ Target: ACTIVE — direct link via ingredient_targets
  • Target ↔ Disease: ACTIVE — direct link via target_health_topics
  • Herb → Target → Disease (full chemical spine): ACTIVE — joins all three link tables