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: 7Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 75854
- Core Entity Id
- 138503
- Source Entity Count
- 1
- Preferred Name
- Theophylline monohydrate
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C7H10N4O3
- Molecular Weight
- 198.0800
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Theophylline monohydrate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Theophylline monohydrate
Itcmdb Generated
ITX-INGREDIENT-96702844A000
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
198.080
Molecular Formula
C7H10N4O3
Fda Maximum Daily Dose (Fdamdd)
0.017
Quantitative Estimate Of Drug Likeness（Qed）
0.562