Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 7Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 62805
- Core Entity Id
- 109823
- Source Entity Count
- 1
- Preferred Name
- 3-Methoxy-4-Hydroxybenzoic Acid
- Name En
- Pubchem Id
- 8468
- Smiles Canonical
- COC1=C(C=CC(=C1)C(=O)O)O
- Molecular Formula
- C8H8O4
- Molecular Weight
- 168.0400
- Inchikey
- WKOLLVMJNQIZCI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.4000
- 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-Methoxy-4-Hydroxybenzoic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-Methoxy-4-Hydroxybenzoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-Methoxy-4-Hydroxybenzoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT21179
Etcm Ingredient
3-Methoxy-4-Hydroxybenzoic acid
Itcmdb Generated
ITX-INGREDIENT-C387E37B3031ITX-INGREDIENT-CB48CAA33081
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Molecular Weight
168.040
Molecular Formula
C8H8O4
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.693