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Gene Target
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Disease
30,467
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trials · metas · refs
Plus 6,743 TCM formulas connecting herbs together
⚗️ Ingredient
Solamargine
2
Clinical Trials
0
Meta-Analyses
6
PubMed References
Top Conditions Studied with Solamargine
📋 Sample Trials
NCT02029066
Pharmacokinetic Study of Solamargine in Patients With Actinic Keratosis
Completed · Phase 1
NCT02559934
Multiple-dose Pharmacokinetic Study of Solamargine in Patients With Actinic Keratosis
Completed · Phase 1
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
PMID 26689593
Inactivation of PI3-K/Akt and reduction of SP1 and p65 expression increase the effect of solamargine on suppressing EP4 expression in human lung cancer cells
J Exp Clin Cancer Res · 2015
PMID 31823440
The regulation and interaction of colon cancer-associated transcript-1 and miR7-5p contribute to the inhibition of SP1 expression by solamargine in human nasopharyngeal carcinoma cells
Phytother Res · 2020
PMID 35040191
Solamargine inhibits the growth of hepatocellular carcinoma and enhances the anticancer effect of sorafenib by regulating HOTTIP-TUG1/miR-4726-5p/MUC1 pathway
Mol Carcinog · 2022
⚗️ All Ingredient data fields for Solamargine
⚗️ Identity
Name
Solamargine
Aliases / Synonyms
20311-51-7; UNII-8KG991E7BN; 8KG991E7BN; NSC 407810; (-)-SOLAMARGINE; .DELTA.-SOLANIGRINE; Solamargin; SOLAMARGINE, (-)-; CHEBI:9185
🧪 Chemistry
Molecular Weight
868.0710
LogP
0.8147
Drug-likeness
0.161
Oral Bioavailability
10.9010
H-Bond Acceptors
16
H-Bond Donors
9
Rotatable Bonds
7
🔬 Structures
Canonical SMILES
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1
Isomeric SMILES
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)NC1
InChIKey
MBWUSSKCCUMJHO-ZGXDEBHDSA-N
InChI
InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1
🔗 External References
HERB DB
PubChem CID
CAS Number
NPASS
NPC122819
HIT
C0623
SymMap
661
TCMID
20028
TCMSP
MOL006851; MOL006855; MOL007353
TCM-ID
923
🔍 Raw view — every non-empty column on this row (34 fields)
name
Solamargine
common names
20311-51-7; UNII-8KG991E7BN; 8KG991E7BN; NSC 407810; (-)-SOLAMARGINE; .DELTA.-SOLANIGRINE; Solamargin; SOLAMARGINE, (-)-; CHEBI:9185
herb ingredient id
HBIN044265
canonical smiles
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1
isomeric smiles
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)NC1
inchi
InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1
inchikey
MBWUSSKCCUMJHO-ZGXDEBHDSA-N
mol wt
868.0710
num h acceptors
16
num h donors
9
mol logp
0.8147
num rotatable bonds
7
drug likeness
0.161
ob score
10.9010
cas id
14197-65-0
symmap mol id
661
tcmid ingredient id
20028
tcmsp ingredient id
MOL006851; MOL006855; MOL007353
tcm id ingredient id
923
pubchem cid
73611
npass id
NPC122819
hit id
C0623
🏥 Linked Health Topics
1 · diseases via target pathways📋 Clinical Trials
2 · subject of clinical studyNCT02029066 Pharmacokinetic Study of Solamargine in Patients With Actinic Keratosis
→ Actinic Keratosis
NCT02559934 Multiple-dose Pharmacokinetic Study of Solamargine in Patients With Actinic Kera
→ Actinic Keratosis
📚 PubMed References
6 · cited researchPMID 26689593 Inactivation of PI3-K/Akt and reduction of SP1 and p65 expression increase the e
J Exp Clin Cancer Res
PMID 31823440 The regulation and interaction of colon cancer-associated transcript-1 and miR7-
Phytother Res
PMID 35040191 Solamargine inhibits the growth of hepatocellular carcinoma and enhances the ant
Mol Carcinog
PMID 35313929 Solamargine induces hepatocellular carcinoma cell apoptosis and autophagy via in
J Hematol Oncol
PMID 35770009 Solamargine Alleviated UVB-Induced Inflammation and Melanogenesis in Human Kerat
Front Med (Lausanne)
PMID 35903338 Solamargine Inhibits the Development of Hypopharyngeal Squamous Cell Carcinoma b
Front Pharmacol
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_pinyinmatchingherbs.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