Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68084
- Core Entity Id
- 130733
- Source Entity Count
- 1
- Preferred Name
- 3-hydroxy-5-methoxy-benzoic acid
- Name En
- Pubchem Id
- 7472024
- Smiles Canonical
- COC1=CC(=CC(=C1)O)C(=O)O
- Molecular Formula
- C8H8O4
- Molecular Weight
- 168.0400
- Inchikey
- TUUBOHWZSQXCSW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O4/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,9H,1H3,(H,10,11)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.9000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 66.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-hydroxy-5-methoxy-benzoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3-hydroxy-5-methoxy-benzoic acid
Itcmdb Generated
ITX-INGREDIENT-4B019A06F742
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
168.040
Molecular Formula
C8H8O4
Fda Maximum Daily Dose (Fdamdd)
0.026
Quantitative Estimate Of Drug Likeness（Qed）
0.693