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
Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70194
- Core Entity Id
- 132843
- Source Entity Count
- 1
- Preferred Name
- aspirin
- Name En
- Pubchem Id
- 2244
- Smiles Canonical
- CC(=O)OC1=CC=CC=C1C(=O)O
- Molecular Formula
- C9H8O4
- Molecular Weight
- 180.0400
- Inchikey
- BSYNRYMUTXBXSQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.2000
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 63.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
aspirin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
aspirin
Itcmdb Generated
ITX-INGREDIENT-D05AEC9C75C0
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
180.040
Molecular Formula
C9H8O4
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.550