Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67016
- Core Entity Id
- 129665
- Source Entity Count
- 1
- Preferred Name
- 2,4-dihydroxybenzaldehyde
- Name En
- Pubchem Id
- 7213
- Smiles Canonical
- C1=CC(=C(C=C1O)O)C=O
- Molecular Formula
- C7H6O3
- Molecular Weight
- 138.0300
- Inchikey
- IUNJCFABHJZSKB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H6O3/c8-4-5-1-2-6(9)3-7(5)10/h1-4,9-10H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.5000
- 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
2,4-dihydroxybenzaldehyde
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2,4-dihydroxybenzaldehyde
Itcmdb Generated
ITX-INGREDIENT-8AC097CB7EDF
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
138.030
Molecular Formula
C7H6O3
Fda Maximum Daily Dose (Fdamdd)
0.253
Quantitative Estimate Of Drug Likeness（Qed）
0.567