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Every herb, ingredient, formula, gene target, and disease — connected through real research. Search, pick a subject, and navigate the graph in any direction.

🌿
Herb
6,826
→
⚗️
Ingredient
44,598
→
🧬
Gene Target
15,695
→
🏥
Disease
30,467
→
🧪
Evidence
23,295
trials · metas · refs
Plus 6,743 TCM formulas connecting herbs together
Subject Type: 🌿 Herbs ⚗️ Ingredients 📜 Formulas 🧬 Targets 🏥 Diseases
Quick picks: Taxol Oxytocin Morphine (?)-nicotine Testosterone Melatonin Caffeine L-ascorbic acid Progesterone Coumarins
⚗️ Ingredient

Beta-sitosterol

Open on HERB 2.0 ↗
0
Clinical Trials
0
Meta-Analyses
0
PubMed References
⚗️ All Ingredient data fields for Beta-sitosterol
⚗️ Identity
Name
Beta-sitosterol
Aliases / Synonyms
83-46-5; Sitosterol; 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
HBIN018278 ↗
PubChem CID
222284 ↗
CAS Number
83-46-5 ↗
DrugBank
DB14038 ↗
NPASS
NPC51986
TCMID
23097; 23410; 34628; 19967; 37191
TCMSP
MOL000358; MOL001986; MOL001987; MOL008583
TCM-ID
6245
🔍 Raw view — every non-empty column on this row (35 fields)
name
Beta-sitosterol
common names
83-46-5; Sitosterol; Cupreol; Azuprostat; Quebrachol; 22,23-Dihydrostigmasterol; Cinchol; Triastonal; Rhamnol
herb ingredient id
HBIN018278
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
23097; 23410; 34628; 19967; 37191
tcmsp ingredient id
MOL000358; MOL001986; MOL001987; MOL008583
tcm id ingredient id
6245
pubchem cid
222284
drugbank id
DB14038
npass id
NPC51986
tcmsp mol id
MOL000358
tcmsp molecule id
358

🌿 Related Herbs

1 · contains this compound
Ephedra
Ma Huang

🧬 Gene / Protein Targets

30 · directly binds these targets
KCNH2
Gene KCNH2
PGR
Gene PGR
NCOA2
Gene NCOA2
Prostaglandin G/H synthase 1
Prostaglandin G/H synthase 2
Heat shock protein HSP 90
Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit, gamma isoform
Gamma-aminobutyric-acid receptor alpha-2 subunit
Muscarinic acetylcholine receptor M2
Gamma-aminobutyric acid receptor subunit alpha-1
mRNA of PKA Catalytic Subunit C-alpha
Muscarinic acetylcholine receptor M1
Alpha-1B adrenergic receptor
Apoptosis regulator Bcl-2
Apoptosis regulator BAX
Transcription factor AP-1
Caspase-3
Sodium channel protein type 5 subunit alpha
Beta-2 adrenergic receptor
Caspase-9
Caspase-8
Protein kinase C alpha type
Transforming growth factor beta-1
Serum paraoxonase/arylesterase 1
Dopamine D1 receptor
Muscarinic acetylcholine receptor M3
Muscarinic acetylcholine receptor M4
CGMP-inhibited 3',5'-cyclic phosphodiesterase A
5-hydroxytryptamine 2A receptor
Gamma-aminobutyric-acid receptor alpha-5 subunit

🏥 Linked Health Topics

30 · diseases via target pathways
Cardiac arrhythmias
disease
Breast cancer
disease
Cardiovascular disease, unspecified
disease
Chronic inflammatory diseases
disease
Alzheimer'S Disease
syndrome
Arthritis
syndrome
Renal Cell Carcinoma
disease
Carpal Tunnel Syndrome
syndrome
Endometriosis
syndrome
Inflammation
phenotype
Meningioma
disease
Myocardial Infarction
syndrome
Peutz-Jeghers Syndrome
syndrome
Malignant Mesothelioma
disease
Colorectal cancer
disease
Cancer, unspecific
disease
Lung Cancer
disease
Osteoarthritis
disease
Prostate cancer
disease
Rheumatoid arthritis, unspecified
disease
Analgesics
disease
Stroke
disease
Inflammatory diseases
disease
Bladder cancer
disease
Abdominal aortic aneurysm
disease
Adenomatous polyposis
disease
Carcinoma in situ, unspecified
disease
Dysmenorrhea, unspecified
disease
Genitourinary tumors
disease
Gestational hypertension
disease
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