Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67473
- Core Entity Id
- 130122
- Source Entity Count
- 1
- Preferred Name
- 2-Hydroxy-1,4-benzenedicarboxylic acid
- Name En
- Pubchem Id
- 97257
- Smiles Canonical
- C1=CC(=C(C=C1C(=O)O)O)C(=O)O
- Molecular Formula
- C8H6O5
- Molecular Weight
- 182.0200
- Inchikey
- CDOWNLMZVKJRSC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H6O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.5000
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 94.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Hydroxy-1,4-benzenedicarboxylic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2-Hydroxy-1,4-benzenedicarboxylic acid
Itcmdb Generated
ITX-INGREDIENT-CC4265BED484
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
182.020
Molecular Formula
C8H6O5
Fda Maximum Daily Dose (Fdamdd)
0.002
Quantitative Estimate Of Drug Likeness（Qed）
0.628