Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 72551
- Core Entity Id
- 135200
- Source Entity Count
- 1
- Preferred Name
- Histamine dihydrochloride
- Name En
- Pubchem Id
- 5818
- Smiles Canonical
- C1=C(NC=N1)CCN.Cl.Cl
- Molecular Formula
- C5H11Cl2N3
- Molecular Weight
- 183.0300
- Inchikey
- PPZMYIBUHIPZOS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H9N3.2ClH/c6-2-1-5-3-7-4-8-5;;/h3-4H,1-2,6H2,(H,7,8);2*1H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.7545
- Num H Donors
- 4
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 54.7000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Histamine dihydrochloride
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Histamine dihydrochloride
Itcmdb Generated
ITX-INGREDIENT-B1AC15916024
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
183.030
Molecular Formula
C5H11Cl2N3
Fda Maximum Daily Dose (Fdamdd)
0.831
Quantitative Estimate Of Drug Likeness（Qed）
0.560