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Plus 6,743 TCM formulas connecting herbs together
⚗️ Ingredient

Hemin

3
Clinical Trials
0
Meta-Analyses
6
PubMed References
📋 Sample Trials
NCT00882804
Hemin in Healthy Subjects
Completed · Phase 1
NCT02922413
Panhematin for Prevention of Acute Attacks of Porphyria
Terminated · Phase 2
NCT01855841
Hemin to Prevent Post-ERCP (Endoscopic Retrograde Cholangiopancreatography) Acute Pancreatitis
Completed · Phase 2
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
PMID 31843526
Hemin treatment protects neonatal rats from sevoflurane-induced neurotoxicity via the phosphoinositide 3-kinase/Akt pathway
Life Sci · 2020
PMID 32726649
Catalytic nanographene oxide with hemin for enhanced photodynamic therapy
J Control Release · 2020
PMID 33187129
Hemin Prevents Increased Glycolysis in Macrophages upon Activation: Protection by Microbiota-Derived Metabolites of Polyphenols
Antioxidants (Basel) · 2020
⚗️ All Ingredient data fields for Hemin
⚗️ Identity
Name
Hemin
Aliases / Synonyms
Panhematin; Chlorohemin; 16009-13-5; hemin chloride; Ferriprotoporphyrin chloride; HEMIN [VANDF]; HEMIN [JAN]; HEMIN [WHO-DD]; HEMIN [MI]
🧪 Chemistry
Molecular Weight
651.9520
LogP
3.4591
Drug-likeness
0.355
Oral Bioavailability
8.2940
H-Bond Acceptors
4
H-Bond Donors
2
Rotatable Bonds
8
🔬 Structures
Canonical SMILES
CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3]
Isomeric SMILES
CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3]
InChIKey
BTIJJDXEELBZFS-UHFFFAOYSA-K
InChI
InChI=1S/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3
🔗 External References
PubChem CID
CAS Number
SymMap
11310
TCMID
9344
TCMSP
MOL010250
TCM-ID
13007
🔍 Raw view — every non-empty column on this row (32 fields)
name
Hemin
common names
Panhematin; Chlorohemin; 16009-13-5; hemin chloride; Ferriprotoporphyrin chloride; HEMIN [VANDF]; HEMIN [JAN]; HEMIN [WHO-DD]; HEMIN [MI]
herb ingredient id
HBIN029001
canonical smiles
CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3]
isomeric smiles
CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3]
inchi
InChI=1S/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3
inchikey
BTIJJDXEELBZFS-UHFFFAOYSA-K
mol wt
651.9520
num h acceptors
4
num h donors
2
mol logp
3.4591
num rotatable bonds
8
drug likeness
0.355
ob score
8.2940
cas id
16009-13-5
symmap mol id
11310
tcmid ingredient id
9344
tcmsp ingredient id
MOL010250
tcm id ingredient id
13007
pubchem cid
455658

📋 Clinical Trials

3 · subject of clinical study
NCT00882804 Hemin in Healthy Subjects
→ Healthy Volunteers
NCT02922413 Panhematin for Prevention of Acute Attacks of Porphyria
→ Acute Intermittent Porphyria|Hereditary Coproporph
NCT01855841 Hemin to Prevent Post-ERCP (Endoscopic Retrograde Cholangiopancreatography) Acut
→ Post-ERCP Acute Pancreatitis

📚 PubMed References

6 · cited research
PMID 31843526 Hemin treatment protects neonatal rats from sevoflurane-induced neurotoxicity vi
Life Sci
PMID 32726649 Catalytic nanographene oxide with hemin for enhanced photodynamic therapy
J Control Release
PMID 33187129 Hemin Prevents Increased Glycolysis in Macrophages upon Activation: Protection b
Antioxidants (Basel)
PMID 35218766 Administration of hemin ameliorates ovarian ischemia reperfusion injury via modu
Life Sci
PMID 36230727 High Hemin Concentration Induces Escape from Senescence of Normoxic and Hypoxic
Cancers (Basel)
PMID 36525776 Hemin protects UVB-induced skin damage through inhibiting keratinocytes apoptosi
J Photochem Photobiol B
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