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
- 66918
- Core Entity Id
- 129567
- Source Entity Count
- 1
- Preferred Name
- 2,3,4-Trimethoxybenzaldehyde
- Name En
- Pubchem Id
- 75006
- Smiles Canonical
- COC1=C(C(=C(C=C1)C=O)OC)OC
- Molecular Formula
- C10H12O4
- Molecular Weight
- 196.0700
- Inchikey
- UCTUXUGXIFRVGX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H12O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-6H,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.3000
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 44.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,3,4-Trimethoxybenzaldehyde
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2,3,4-Trimethoxybenzaldehyde
Itcmdb Generated
ITX-INGREDIENT-B814F2FA5334
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
196.070
Molecular Formula
C10H12O4
Fda Maximum Daily Dose (Fdamdd)
0.024
Quantitative Estimate Of Drug Likeness（Qed）
0.685