Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 4Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 72811
- Core Entity Id
- 135460
- Source Entity Count
- 1
- Preferred Name
- Isoprenaline hydrochloride
- Name En
- Pubchem Id
- 5807
- Smiles Canonical
- CC(C)NCC(C1=CC(=C(C=C1)O)O)O.Cl
- Molecular Formula
- C11H18ClNO3
- Molecular Weight
- 247.1000
- Inchikey
- IROWCYIEJAOFOW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H17NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;/h3-5,7,11-15H,6H2,1-2H3;1H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.5510
- Num H Donors
- 5
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 72.7000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isoprenaline hydrochloride
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Isoprenaline hydrochloride
Itcmdb Generated
ITX-INGREDIENT-B71FDEE2B664
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
247.100
Molecular Formula
C11H18ClNO3
Fda Maximum Daily Dose (Fdamdd)
0.831
Quantitative Estimate Of Drug Likeness（Qed）
0.563