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⚗️ Ingredient

Pectolinarigenin

0
Clinical Trials
0
Meta-Analyses
3
PubMed References
📋 Sample Trials
None linked yet.
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
PMID 27735939
Natural product pectolinarigenin inhibits osteosarcoma growth and metastasis via SHP-1-mediated STAT3 signaling inhibition
Cell Death Dis · 2016
PMID 34500010
Neuroprotective and anti-inflammatory effect of pectolinarigenin, a flavonoid from Amazonian Aegiphila integrifolia (Jacq.), against lipopolysaccharide-induced inflammation in astrocytes via NFκB and MAPK pathways
Food Chem Toxicol · 2021
PMID 35453360
Pectolinarigenin Induces Antioxidant Enzymes through Nrf2/ARE Pathway in HepG2 Cells
Antioxidants (Basel) · 2022
⚗️ All Ingredient data fields for Pectolinarigenin
⚗️ Identity
Name
Pectolinarigenin
Aliases / Synonyms
520-12-7; Pectolinaringenin; 5,7-Dihydroxy-4',6-dimethoxyflavone; 5,7-Dihydroxy-6-methoxy-2-(4-methoxyphenyl)-4-benzopyrone; 5,7-Dihydroxy-6,4'-dimethoxyflavone; 6-methoxyacacetin; 5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)chromen-4-one; NSC-106403; 4'-Methylcapillarisin
🧪 Chemistry
Molecular Weight
314.2930
LogP
2.8884
Drug-likeness
0.772
H-Bond Acceptors
6
H-Bond Donors
2
Rotatable Bonds
3
🔬 Structures
Canonical SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O
Isomeric SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O
InChIKey
GPQLHGCIAUEJQK-UHFFFAOYSA-N
InChI
InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3
🔗 External References
PubChem CID
CAS Number
NPASS
NPC156222
TCMID
16743; 14205; 36799
TCMSP
MOL005842; MOL008045
TCM-ID
1997; 24247
🔍 Raw view — every non-empty column on this row (33 fields)
name
Pectolinarigenin
common names
520-12-7; Pectolinaringenin; 5,7-Dihydroxy-4',6-dimethoxyflavone; 5,7-Dihydroxy-6-methoxy-2-(4-methoxyphenyl)-4-benzopyrone; 5,7-Dihydroxy-6,4'-dimethoxyflavone; 6-methoxyacacetin; 5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)chromen-4-one; NSC-106403; 4'-Methylcapillarisin
herb ingredient id
HBIN039031
canonical smiles
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O
isomeric smiles
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O
inchi
InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3
inchikey
GPQLHGCIAUEJQK-UHFFFAOYSA-N
mol wt
314.2930
num h acceptors
6
num h donors
2
mol logp
2.8884
num rotatable bonds
3
drug likeness
0.772
cas id
520-12-7
tcmid ingredient id
16743; 14205; 36799
tcmsp ingredient id
MOL005842; MOL008045
tcm id ingredient id
1997; 24247
pubchem cid
5320438
npass id
NPC156222
tcmsp mol id
MOL005842
tcmsp molecule id
5842

🌿 Related Herbs

1 · contains this compound

🧬 Gene / Protein Targets

12 · directly binds these targets
NCOA1
Gene NCOA1
NCOA2
Gene NCOA2
Prostaglandin G/H synthase 1
Prostaglandin G/H synthase 2
Dipeptidyl peptidase IV
Acetylcholinesterase
Ig gamma-1 chain C region
Trypsin-1
Nitric oxide synthase, inducible
Alpha-1B adrenergic receptor
Calmodulin
Sodium channel protein type 5 subunit alpha

📚 PubMed References

3 · cited research
PMID 27735939 Natural product pectolinarigenin inhibits osteosarcoma growth and metastasis via
Cell Death Dis
PMID 34500010 Neuroprotective and anti-inflammatory effect of pectolinarigenin, a flavonoid fr
Food Chem Toxicol
PMID 35453360 Pectolinarigenin Induces Antioxidant Enzymes through Nrf2/ARE Pathway in HepG2 C
Antioxidants (Basel)
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