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: 4Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68618
- Core Entity Id
- 131267
- Source Entity Count
- 1
- Preferred Name
- 4-methoxybenzoic acid
- Name En
- Pubchem Id
- 7478
- Smiles Canonical
- COC1=CC=C(C=C1)C(=O)O
- Molecular Formula
- C8H8O3
- Molecular Weight
- 152.0500
- Inchikey
- ZEYHEAKUIGZSGI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.0000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 46.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-methoxybenzoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
4-methoxybenzoic acid
Itcmdb Generated
ITX-INGREDIENT-3DD485A822D8
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
152.050
Molecular Formula
C8H8O3
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.696