Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67047
- Core Entity Id
- 129696
- Source Entity Count
- 1
- Preferred Name
- 2,5-dimethoxybenzaldehyde
- Name En
- Pubchem Id
- 66726
- Smiles Canonical
- COC1=CC(=C(C=C1)OC)C=O
- Molecular Formula
- C9H10O3
- Molecular Weight
- 166.0600
- Inchikey
- AFUKNJHPZAVHGQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H10O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-6H,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.5000
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 35.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,5-dimethoxybenzaldehyde
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2,5-dimethoxybenzaldehyde
Itcmdb Generated
ITX-INGREDIENT-59E692CE1328
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
166.060
Molecular Formula
C9H10O3
Fda Maximum Daily Dose (Fdamdd)
0.063
Quantitative Estimate Of Drug Likeness（Qed）
0.638