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Ingredient
44,598
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Gene Target
15,695
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Disease
30,467
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Evidence
23,295
trials · metas · refs
Plus 6,743 TCM formulas connecting herbs together
Subject Type: 🌿 Herbs ⚗️ Ingredients 📜 Formulas 🧬 Targets 🏥 Diseases
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⚗️ Ingredient

Sitosterol

Open on HERB 2.0 ↗
1
Clinical Trials
0
Meta-Analyses
0
PubMed References
Top Conditions Studied with Sitosterol
Sitosterolemia 1
📋 Sample Trials
NCT00531128
The Effect of Dietary Sitosterol on Blood Sugar and Cholesterol
Completed
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
None linked yet.
⚗️ All Ingredient data fields for Sitosterol
⚗️ Identity
Name
Sitosterol
Aliases / Synonyms
BETA-SITOSTEROL; 83-46-5; Cupreol; Azuprostat; Quebrachol; 22,23-Dihydrostigmasterol; Cinchol; Triastonal; Rhamnol
🧪 Chemistry
Molecular Weight
414.7180
LogP
8.0248
Drug-likeness
0.436
Oral Bioavailability
36.9140
H-Bond Acceptors
1
H-Bond Donors
1
Rotatable Bonds
6
🔬 Structures
Canonical SMILES
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
Isomeric SMILES
CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
InChIKey
KZJWDPNRJALLNS-VJSFXXLFSA-N
InChI
InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
🔗 External References
HERB DB
HBIN044158 ↗
PubChem CID
222284 ↗
CAS Number
83-46-5 ↗
DrugBank
DB14038 ↗
NPASS
NPC230301
HIT
C1178
TCMID
24225; 40737; 25917; 39369; 37439; 34029; 24894
TCMSP
MOL000359
TCM-ID
20696; 9794
🔍 Raw view — every non-empty column on this row (34 fields)
name
Sitosterol
common names
BETA-SITOSTEROL; 83-46-5; Cupreol; Azuprostat; Quebrachol; 22,23-Dihydrostigmasterol; Cinchol; Triastonal; Rhamnol
herb ingredient id
HBIN044158
canonical smiles
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
isomeric smiles
CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
inchi
InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
inchikey
KZJWDPNRJALLNS-VJSFXXLFSA-N
mol wt
414.7180
num h acceptors
1
num h donors
1
mol logp
8.0248
num rotatable bonds
6
drug likeness
0.436
ob score
36.9140
cas id
83-46-5
tcmid ingredient id
24225; 40737; 25917; 39369; 37439; 34029; 24894
tcmsp ingredient id
MOL000359
tcm id ingredient id
20696; 9794
pubchem cid
222284
drugbank id
DB14038
npass id
NPC230301
hit id
C1178

🏥 Linked Health Topics

1 · diseases via target pathways
Sitosterolemia
disease

📋 Clinical Trials

1 · subject of clinical study
NCT00531128 The Effect of Dietary Sitosterol on Blood Sugar and Cholesterol
→ Sitosterolemia
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