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⚗️ Ingredient

Cafestol

3
Clinical Trials
0
Meta-Analyses
2
PubMed References
Top Conditions Studied with Cafestol
📋 Sample Trials
NCT04908904
Acute Effects of Cafestol on Glucose Metabolism in Subjects With Type-2-diabetes.
Completed
NCT04911582
Does the Bioactive Substance in Coffee, Cafestol, Have Preventive Properties on Type-2-diabetes? (Acute Substudy)
Completed
NCT05672433
Long-term Metabolic Effects of Cafestol
Unknown
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
PMID 25375379
Cafestol overcomes ABT-737 resistance in Mcl-1-overexpressed renal carcinoma Caki cells through downregulation of Mcl-1 expression and upregulation of Bim expression
Cell Death Dis · 2014
PMID 22734486
Natural diterpenes from coffee, cafestol and kahweol induce apoptosis through regulation of specificity protein 1 expression in human malignant pleural mesothelioma
J Biomed Sci · 2012
⚗️ All Ingredient data fields for Cafestol
⚗️ Identity
Name
Cafestol
Aliases / Synonyms
469-83-0; cafesterol; CCRIS 1518; UNII-AC465T6Q6W; (-)-cafestol; AC465T6Q6W; CHEBI:3291; CAFESTOL [MI]; DTXSID3040986
🧪 Chemistry
Molecular Weight
316.4410
LogP
3.6393
Drug-likeness
0.831
H-Bond Acceptors
3
H-Bond Donors
2
Rotatable Bonds
1
🔬 Structures
Canonical SMILES
CC12CCC3=C(C1CCC45C2CCC(C4)C(C5)(CO)O)C=CO3
Isomeric SMILES
C[C@@]12CCC3=C([C@H]1CC[C@]45[C@H]2CC[C@H](C4)[C@](C5)(CO)O)C=CO3
InChIKey
DNJVYWXIDISQRD-HWUKTEKMSA-N
InChI
InChI=1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1
🔗 External References
PubChem CID
TCMID
2886
🔍 Raw view — every non-empty column on this row (27 fields)
name
Cafestol
common names
469-83-0; cafesterol; CCRIS 1518; UNII-AC465T6Q6W; (-)-cafestol; AC465T6Q6W; CHEBI:3291; CAFESTOL [MI]; DTXSID3040986
herb ingredient id
HBIN019295
canonical smiles
CC12CCC3=C(C1CCC45C2CCC(C4)C(C5)(CO)O)C=CO3
isomeric smiles
C[C@@]12CCC3=C([C@H]1CC[C@]45[C@H]2CC[C@H](C4)[C@](C5)(CO)O)C=CO3
inchi
InChI=1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1
inchikey
DNJVYWXIDISQRD-HWUKTEKMSA-N
mol wt
316.4410
num h acceptors
3
num h donors
2
mol logp
3.6393
num rotatable bonds
1
drug likeness
0.831
tcmid ingredient id
2886
pubchem cid
108052

🏥 Linked Health Topics

1 · studied for these conditions (text bridge)

📋 Clinical Trials

3 · subject of clinical study
NCT04908904 Acute Effects of Cafestol on Glucose Metabolism in Subjects With Type-2-diabetes
→ Diabetes Mellitus, Type 2
NCT04911582 Does the Bioactive Substance in Coffee, Cafestol, Have Preventive Properties on
→ Obesity, Abdominal
NCT05672433 Long-term Metabolic Effects of Cafestol
→ Obesity, Abdominal

📚 PubMed References

2 · cited research
PMID 25375379 Cafestol overcomes ABT-737 resistance in Mcl-1-overexpressed renal carcinoma Cak
Cell Death Dis
PMID 22734486 Natural diterpenes from coffee, cafestol and kahweol induce apoptosis through re
J Biomed Sci
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: empty — needs HERB_herb_ingredient import
  • Ingredient ↔ Target: empty — needs HERB_ingredient_target import
  • Target ↔ Disease: empty — needs HERB_target_disease import
  • Herb → Target → Disease (full chemical spine): awaiting Phase 2e link tables