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⚗️ Ingredient

2-methyl-1,4-naphthoquinone

2
Clinical Trials
0
Meta-Analyses
1
PubMed References
Top Conditions Studied with 2-methyl-1,4-naphthoquinone
📋 Sample Trials
NCT01094444
Investigation of the Effect of Vitamin K3-lotion for the Treatment of Cetuximab Induced Folliculitis
Completed · Phase 2
NCT01393821
Menadione Topical Lotion in Treating Skin Discomfort and Psychological Distress in Patients With Cancer Receiving Panitumumab, Erlotinib Hydrochloride, or Cetuximab
Active_Not_Recruiting
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
PMID 33945810
Novel antiadipogenic effect of menadione in 3T3-L1 cells
Chem Biol Interact · 2021
⚗️ All Ingredient data fields for 2-methyl-1,4-naphthoquinone
⚗️ Identity
Name
2-methyl-1,4-naphthoquinone
Aliases / Synonyms
menadione; 58-27-5; Vitamin K3; 2-methylnaphthalene-1,4-dione; Menaphthone; Kayquinone; 2-Methylnaphthoquinone; Thyloquinone; Kappaxin
🧪 Chemistry
Molecular Weight
172.1830
LogP
2.0119
Drug-likeness
0.599
H-Bond Acceptors
2
🔬 Structures
Canonical SMILES
CC1=CC(=O)C2=CC=CC=C2C1=O
Isomeric SMILES
CC1=CC(=O)C2=CC=CC=C2C1=O
InChIKey
MJVAVZPDRWSRRC-UHFFFAOYSA-N
InChI
InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
🔗 External References
PubChem CID
DrugBank
NPASS
NPC43945
HIT
C0211
TCMID
14604
TCM-ID
14969
🔍 Raw view — every non-empty column on this row (31 fields)
name
2-methyl-1,4-naphthoquinone
common names
menadione; 58-27-5; Vitamin K3; 2-methylnaphthalene-1,4-dione; Menaphthone; Kayquinone; 2-Methylnaphthoquinone; Thyloquinone; Kappaxin
herb ingredient id
HBIN005945
canonical smiles
CC1=CC(=O)C2=CC=CC=C2C1=O
isomeric smiles
CC1=CC(=O)C2=CC=CC=C2C1=O
inchi
InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
inchikey
MJVAVZPDRWSRRC-UHFFFAOYSA-N
mol wt
172.1830
num h acceptors
2
num h donors
0
mol logp
2.0119
num rotatable bonds
0
drug likeness
0.599
tcmid ingredient id
14604
tcm id ingredient id
14969
pubchem cid
4055
drugbank id
DB00170
npass id
NPC43945
hit id
C0211

🏥 Linked Health Topics

1 · studied for these conditions (text bridge)

📋 Clinical Trials

2 · subject of clinical study
NCT01094444 Investigation of the Effect of Vitamin K3-lotion for the Treatment of Cetuximab
→ Folliculitis
NCT01393821 Menadione Topical Lotion in Treating Skin Discomfort and Psychological Distress
→ Dermatologic Complications|Malignant Neoplasm|Pain

📚 PubMed References

1 · cited research
PMID 33945810 Novel antiadipogenic effect of menadione in 3T3-L1 cells
Chem Biol Interact
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