Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 73578
- Core Entity Id
- 136227
- Source Entity Count
- 1
- Preferred Name
- methyl 4-hydroxy-3-methoxyphenylacetate
- Name En
- Pubchem Id
- 85214
- Smiles Canonical
- COC1=C(C=CC(=C1)CC(=O)OC)O
- Molecular Formula
- C10H12O4
- Molecular Weight
- 196.0700
- Inchikey
- JJJSFAGPWHEUBT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H12O4/c1-13-9-5-7(3-4-8(9)11)6-10(12)14-2/h3-5,11H,6H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.7000
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 55.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
methyl 4-hydroxy-3-methoxyphenylacetate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
methyl 4-hydroxy-3-methoxyphenylacetate
Itcmdb Generated
ITX-INGREDIENT-DF6F1C47DCDB
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
196.070
Molecular Formula
C10H12O4
Fda Maximum Daily Dose (Fdamdd)
0.023
Quantitative Estimate Of Drug Likeness（Qed）
0.736