Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Ingredient: 1Target: 4Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 72823
- Core Entity Id
- 135472
- Source Entity Count
- 1
- Preferred Name
- Isoproterenol sulfate
- Name En
- Pubchem Id
- 656677
- Smiles Canonical
- CC(C)NCC(C1=CC(=C(C=C1)O)O)O.CC(C)NCC(C1=CC(=C(C=C1)O)O)O.O.O.OS(=O)(=O)O
- Molecular Formula
- C22H40N2O12S
- Molecular Weight
- 556.2300
- Inchikey
- CUQPTVCVZLUXJB-UHFFFAOYSA-N
- Inchi
- InChI=1S/2C11H17NO3.H2O4S.2H2O/c2*1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;1-5(2,3)4;;/h2*3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4);2*1H2
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.0438
- Num H Donors
- 12
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 8
- Drug Likeness
- Polar Surface Area
- 230.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isoproterenol sulfate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Isoproterenol sulfate
Itcmdb Generated
ITX-INGREDIENT-C04CE0BFE4CD
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
556.230
Molecular Formula
C22H40N2O12S
Fda Maximum Daily Dose (Fdamdd)
0.831
Quantitative Estimate Of Drug Likeness（Qed）
0.563