Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68183
- Core Entity Id
- 130832
- Source Entity Count
- 1
- Preferred Name
- 3-Methylsalicylic acid
- Name En
- Pubchem Id
- 6738
- Smiles Canonical
- CC1=C(C(=CC=C1)C(=O)O)O
- Molecular Formula
- C8H8O3
- Molecular Weight
- 152.0500
- Inchikey
- WHSXTWFYRGOBGO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.9000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 57.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Methylsalicylic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3-Methylsalicylic acid
Itcmdb Generated
ITX-INGREDIENT-31936CF2F1AC
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
152.050
Molecular Formula
C8H8O3
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.639