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⚗️ Ingredient

Kaempferol

0
Clinical Trials
0
Meta-Analyses
0
PubMed References
⚗️ All Ingredient data fields for Kaempferol
⚗️ Identity
Name
Kaempferol
Aliases / Synonyms
520-18-3; Kaempherol; Robigenin; Populnetin; Rhamnolutein; Trifolitin; Kempferol; Swartziol; 3,4',5,7-Tetrahydroxyflavone
🧪 Chemistry
Molecular Weight
286.2390
LogP
2.2824
Drug-likeness
0.546
Oral Bioavailability
41.8820
H-Bond Acceptors
6
H-Bond Donors
4
Rotatable Bonds
1
🔬 Structures
Canonical SMILES
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Isomeric SMILES
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
InChIKey
IYRMWMYZSQPJKC-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
🔗 External References
PubChem CID
CAS Number
SymMap
41
TCMID
12017
TCMSP
MOL000422
TCM-ID
3239
🔍 Raw view — every non-empty column on this row (34 fields)
name
Kaempferol
common names
520-18-3; Kaempherol; Robigenin; Populnetin; Rhamnolutein; Trifolitin; Kempferol; Swartziol; 3,4',5,7-Tetrahydroxyflavone
herb ingredient id
HBIN031753
canonical smiles
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
isomeric smiles
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
inchi
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
inchikey
IYRMWMYZSQPJKC-UHFFFAOYSA-N
mol wt
286.2390
num h acceptors
6
num h donors
4
mol logp
2.2824
num rotatable bonds
1
drug likeness
0.546
ob score
41.8820
cas id
520-18-3
symmap mol id
41
tcmid ingredient id
12017
tcmsp ingredient id
MOL000422
tcm id ingredient id
3239
pubchem cid
5280863
tcmsp mol id
MOL000422
tcmsp molecule id
422

🌿 Related Herbs

1 · contains this compound

🧬 Gene / Protein Targets

30 · directly binds these targets
AHR
Gene AHR
ALOX5
Gene ALOX5
AR
Gene AR
F7
Gene F7
GSTM1
Gene GSTM1
GSTM2
Gene GSTM2
HAS2
Gene HAS2
HMOX1
Gene HMOX1
ICAM1
Gene ICAM1
INSR
Gene INSR
PGR
Gene PGR
PPARG
Gene PPARG
MAPK8
Gene MAPK8
TNF
Gene TNF
AKR1C3
Gene AKR1C3
NR1I2
Gene NR1I2
NR1I3
Gene NR1I3
NCOA2
Gene NCOA2
Prostaglandin G/H synthase 1
Prostaglandin G/H synthase 2
Heat shock protein HSP 90
Dipeptidyl peptidase IV
Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit, gamma isoform
Thrombin
Gamma-aminobutyric-acid receptor alpha-2 subunit
Acetylcholinesterase
Muscarinic acetylcholine receptor M2
Gamma-aminobutyric acid receptor subunit alpha-1
Trypsin-1
Nitric oxide synthase, inducible
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