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⚗️ Ingredient

Stigmasterol

0
Clinical Trials
0
Meta-Analyses
6
PubMed References
📋 Sample Trials
None linked yet.
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
PMID 24107941
Plant sterols the better cholesterol in Alzheimer's disease? A mechanistical study
J Neurosci · 2013
PMID 24107776
Phytosterols promote liver injury and Kupffer cell activation in parenteral nutrition-associated liver disease
Sci Transl Med · 2013
PMID 31759199
Stigmasterol stimulates transintestinal cholesterol excretion independent of liver X receptor activation in the small intestine
J Nutr Biochem · 2020
⚗️ All Ingredient data fields for Stigmasterol
⚗️ Identity
Name
Stigmasterol
Aliases / Synonyms
83-48-7; Stigmasterin; beta-Stigmasterol; Stigmasta-5,22-dien-3beta-ol; (24S)-5,22-Stigmastadien-3beta-ol; Stigmasta-5,22-dien-3-beta-ol; UNII-99WUK5D0Y8; Stigmasta-5,22-dien-3-ol, (3beta,22E)-; Delta5-Stigmasterol
🧪 Chemistry
Molecular Weight
412.7020
LogP
7.8008
Drug-likeness
0.457
H-Bond Acceptors
1
H-Bond Donors
1
Rotatable Bonds
5
🔬 Structures
Canonical SMILES
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
Isomeric SMILES
CC[C@H](/C=C/[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
HCXVJBMSMIARIN-PHZDYDNGSA-N
InChI
InChI=1S/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
🔗 External References
PubChem CID
NPASS
NPC113733
TCMID
20353
TCMSP
MOL000449; MOL002045
TCM-ID
747
🔍 Raw view — every non-empty column on this row (32 fields)
name
Stigmasterol
common names
83-48-7; Stigmasterin; beta-Stigmasterol; Stigmasta-5,22-dien-3beta-ol; (24S)-5,22-Stigmastadien-3beta-ol; Stigmasta-5,22-dien-3-beta-ol; UNII-99WUK5D0Y8; Stigmasta-5,22-dien-3-ol, (3beta,22E)-; Delta5-Stigmasterol
herb ingredient id
HBIN044918
canonical smiles
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
isomeric smiles
CC[C@H](/C=C/[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/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
inchikey
HCXVJBMSMIARIN-PHZDYDNGSA-N
mol wt
412.7020
num h acceptors
1
num h donors
1
mol logp
7.8008
num rotatable bonds
5
drug likeness
0.457
tcmid ingredient id
20353
tcmsp ingredient id
MOL000449; MOL002045
tcm id ingredient id
747
pubchem cid
5280794
npass id
NPC113733
tcmsp mol id
MOL000449
tcmsp molecule id
449

🌿 Related Herbs

1 · contains this compound

🧬 Gene / Protein Targets

30 · directly binds these targets
PGR
Gene PGR
NCOA1
Gene NCOA1
NCOA2
Gene NCOA2
Prostaglandin G/H synthase 1
Prostaglandin G/H synthase 2
Muscarinic acetylcholine receptor M2
Gamma-aminobutyric acid receptor subunit alpha-1
Ig gamma-1 chain C region
mRNA of PKA Catalytic Subunit C-alpha
Muscarinic acetylcholine receptor M1
Sodium-dependent noradrenaline transporter
Alpha-1B adrenergic receptor
Aldose reductase
Sodium channel protein type 5 subunit alpha
Beta-2 adrenergic receptor
Retinoic acid receptor RXR-alpha
Amine oxidase [flavin-containing] B
Urokinase-type plasminogen activator
Muscarinic acetylcholine receptor M3
5-hydroxytryptamine 2A receptor
Alpha-1A adrenergic receptor
Gamma-aminobutyric-acid receptor alpha-3 subunit
Neuronal acetylcholine receptor protein, alpha-7 chain
Mineralocorticoid receptor
Alcohol dehydrogenase 1C
Alpha-2A adrenergic receptor
Sodium-dependent dopamine transporter
Leukotriene A-4 hydrolase
Amine oxidase [flavin-containing] A
Chymotrypsinogen B

📚 PubMed References

6 · cited research
PMID 24107941 Plant sterols the better cholesterol in Alzheimer's disease? A mechanistical stu
J Neurosci
PMID 24107776 Phytosterols promote liver injury and Kupffer cell activation in parenteral nutr
Sci Transl Med
PMID 31759199 Stigmasterol stimulates transintestinal cholesterol excretion independent of liv
J Nutr Biochem
PMID 33041661 Stigmasterol sensitizes endometrial cancer cells to chemotherapy by repressing N
Cancer Cell Int
PMID 33285471 The potential LXRβ agonist stigmasterol protects against hypoxia/reoxygenation i
Phytomedicine
PMID 33708631 Stigmasterol Simultaneously Induces Apoptosis and Protective Autophagy by Inhibi
Front Oncol
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