Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 4Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 73559
- Core Entity Id
- 136208
- Source Entity Count
- 1
- Preferred Name
- Methyl 2,3,5-trihydroxybenzoate
- Name En
- Pubchem Id
- 13939346
- Smiles Canonical
- COC(=O)C1=C(C(=CC(=C1)O)O)O
- Molecular Formula
- C7H6O5
- Molecular Weight
- 170.0200
- Inchikey
- IVQFXTVSPXRACF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O5/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3,9-11H,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.4000
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 87.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methyl 2,3,5-trihydroxybenzoate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Methyl 2,3,5-trihydroxybenzoate
Itcmdb Generated
ITX-INGREDIENT-D6846E89E712
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
170.020
Molecular Formula
C7H6O5
Fda Maximum Daily Dose (Fdamdd)
0.012
Quantitative Estimate Of Drug Likeness（Qed）
0.363