Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68617
- Core Entity Id
- 131266
- Source Entity Count
- 1
- Preferred Name
- 4-Methoxybenzamide
- Name En
- Pubchem Id
- 76959
- Smiles Canonical
- COC1=CC=C(C=C1)C(=O)N
- Molecular Formula
- C8H9NO2
- Molecular Weight
- 151.0600
- Inchikey
- GUCPYIYFQVTFSI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.9000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 52.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Methoxybenzamide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
4-Methoxybenzamide
Itcmdb Generated
ITX-INGREDIENT-1C39BC778850
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
151.060
Molecular Formula
C8H9NO2
Fda Maximum Daily Dose (Fdamdd)
0.016
Quantitative Estimate Of Drug Likeness（Qed）
0.679