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⚗️ Ingredient

Anhydroicaritin

4
Clinical Trials
0
Meta-Analyses
10
PubMed References
📋 Sample Trials
NCT01972672
The Phase II Study of Icaritin in Patients With Advanced Hepatocellular Carcinoma
Completed · Phase 2
NCT03236636
The Phase III Study of Icaritin Versus HUACHANSU PIAN in Hepatocellular Carcinoma Subjects
Unknown · Phase 3
NCT03236649
The Phase III Study of Icaritin Versus Sorafenib in PD-L1 Positive Advanced Hepatocellular Carcinoma Subjects
Terminated · Phase 3
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
PMID 33354776
Icaritin inhibits PD-L1 expression by Targeting Protein IκB Kinase α
Eur J Immunol · 2021
PMID 33417961
Icaritin ameliorates hepatic steatosis via promoting fatty acid β-oxidation and insulin sensitivity
Life Sci · 2021
PMID 33805302
Icaritin Provides Neuroprotection in Parkinson's Disease by Attenuating Neuroinflammation, Oxidative Stress, and Energy Deficiency
Antioxidants (Basel) · 2021
⚗️ All Ingredient data fields for Anhydroicaritin
⚗️ Identity
Name
Anhydroicaritin
Aliases / Synonyms
Icaritin; beta-Anhydroicaritin; 3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one; CHEMBL497654; ?-anhydroicaritin; 3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-9,10-dihydropyrano(2,3-h)chromen-4-one; I(2)-Anhydroicaritin; SCHEMBL4220888; DTXSID801316333
🧪 Chemistry
Molecular Weight
368.3850
LogP
3.9834
Drug-likeness
0.711
Oral Bioavailability
45.4120
H-Bond Acceptors
6
H-Bond Donors
2
Rotatable Bonds
2
🔬 Structures
Canonical SMILES
CC1(CCC2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)OC)O)C
Isomeric SMILES
CC1(CCC2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)OC)O)C
InChIKey
PPCHTBBOSVKORE-UHFFFAOYSA-N
InChI
InChI=1S/C21H20O6/c1-21(2)9-8-13-15(27-21)10-14(22)16-17(23)18(24)19(26-20(13)16)11-4-6-12(25-3)7-5-11/h4-7,10,22,24H,8-9H2,1-3H3
🔗 External References
PubChem CID
CAS Number
NPASS
NPC273538
HIT
C0137
SymMap
6301
TCMID
1273; 33248
TCMSP
MOL004373; MOL004393
TCM-ID
10719
🔍 Raw view — every non-empty column on this row (34 fields)
name
Anhydroicaritin
common names
Icaritin; beta-Anhydroicaritin; 3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one; CHEMBL497654; ?-anhydroicaritin; 3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-9,10-dihydropyrano(2,3-h)chromen-4-one; I(2)-Anhydroicaritin; SCHEMBL4220888; DTXSID801316333
herb ingredient id
HBIN016163
canonical smiles
CC1(CCC2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)OC)O)C
isomeric smiles
CC1(CCC2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)OC)O)C
inchi
InChI=1S/C21H20O6/c1-21(2)9-8-13-15(27-21)10-14(22)16-17(23)18(24)19(26-20(13)16)11-4-6-12(25-3)7-5-11/h4-7,10,22,24H,8-9H2,1-3H3
inchikey
PPCHTBBOSVKORE-UHFFFAOYSA-N
mol wt
368.3850
num h acceptors
6
num h donors
2
mol logp
3.9834
num rotatable bonds
2
drug likeness
0.711
ob score
45.4120
cas id
118525-40-9
symmap mol id
6301
tcmid ingredient id
1273; 33248
tcmsp ingredient id
MOL004373; MOL004393
tcm id ingredient id
10719
pubchem cid
14583584
npass id
NPC273538
hit id
C0137

🏥 Linked Health Topics

2 · diseases via target pathways

📋 Clinical Trials

4 · subject of clinical study
NCT01972672 The Phase II Study of Icaritin in Patients With Advanced Hepatocellular Carcinom
→ Hepatocellular Carcinoma (HCC)
NCT03236636 The Phase III Study of Icaritin Versus HUACHANSU PIAN in Hepatocellular Carcinom
→ Advanced HBV-Related Hepatocellular Carcinoma (HCC
NCT03236649 The Phase III Study of Icaritin Versus Sorafenib in PD-L1 Positive Advanced Hepa
→ Hepatocellular Carcinoma (HCC)
NCT02496949 A Phase Ib Study to Assess Safety and Efficacy of Oral Icaritin in Advanced Soli
→ Solid Tumors

📚 PubMed References

10 · cited research
PMID 33354776 Icaritin inhibits PD-L1 expression by Targeting Protein IκB Kinase α
Eur J Immunol
PMID 33417961 Icaritin ameliorates hepatic steatosis via promoting fatty acid β-oxidation and
Life Sci
PMID 33805302 Icaritin Provides Neuroprotection in Parkinson's Disease by Attenuating Neuroinf
Antioxidants (Basel)
PMID 35026517 Icaritin inhibited cigarette smoke extract-induced CD8+ T cell chemotaxis enhanc
Phytomedicine
PMID 35257426 Icaritin ameliorates extracellular microparticles-induced inflammatory pre-metas
Phytother Res
PMID 35433438 Icaritin Inhibits Migration and Invasion of Human Ovarian Cancer Cells via the A
Front Oncol
PMID 35489659 Identifying the anti-metastasis effect of Anhydroicaritin on breast cancer: Coup
J Ethnopharmacol
PMID 35663228 Icaritin inhibits PLK1 to activate DNA damage response in NK/T cell lymphoma and
Mol Ther Oncolytics
PMID 36447154 Icaritin inhibits neuroinflammation in a rat cerebral ischemia model by regulati
Mol Med
PMID 36467051 Exploring the pharmacological mechanisms of icaritin against nasopharyngeal carc
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_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