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
- 73660
- Core Entity Id
- 136309
- Source Entity Count
- 1
- Preferred Name
- methyl-3,4-dihydroxyphenylacetate
- Name En
- Pubchem Id
- 11008556
- Smiles Canonical
- COC(=O)CC1=CC(=C(C=C1)O)O
- Molecular Formula
- C9H10O4
- Molecular Weight
- 182.0600
- Inchikey
- UGFILLIGHGZLHE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H10O4/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4,10-11H,5H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.8000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 66.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
methyl-3,4-dihydroxyphenylacetate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
methyl-3,4-dihydroxyphenylacetate
Itcmdb Generated
ITX-INGREDIENT-293D66F54DC5
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
182.060
Molecular Formula
C9H10O4
Fda Maximum Daily Dose (Fdamdd)
0.014
Quantitative Estimate Of Drug Likeness（Qed）
0.524