Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68133
- Core Entity Id
- 130782
- Source Entity Count
- 1
- Preferred Name
- 3-methoxybenzaldehyde
- Name En
- Pubchem Id
- 11569
- Smiles Canonical
- COC1=CC=CC(=C1)C=O
- Molecular Formula
- C8H8O2
- Molecular Weight
- 136.0500
- Inchikey
- WMPDAIZRQDCGFH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.8000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 26.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-methoxybenzaldehyde
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3-methoxybenzaldehyde
Itcmdb Generated
ITX-INGREDIENT-DDEA2CCBF5FD
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
136.050
Molecular Formula
C8H8O2
Fda Maximum Daily Dose (Fdamdd)
0.058
Quantitative Estimate Of Drug Likeness（Qed）
0.576