Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 3Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 46235
- Core Entity Id
- 89246
- Source Entity Count
- 1
- Preferred Name
- 4-Methoxyphenylacetic acid
- Name En
- Pubchem Id
- 7690
- Smiles Canonical
- COC1=CC=C(C=C1)CC(=O)O
- Molecular Formula
- C9H10O3
- Molecular Weight
- 166.0600
- Inchikey
- NRPFNQUDKRYCNX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.4000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 46.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Methoxyphenylacetic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-methoxyphenylacetic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN021059
Etcm Ingredient
4-methoxyphenylacetic acid
Itcmdb Generated
ITX-INGREDIENT-4BE4CE2F3565ITX-INGREDIENT-6E48EE8355EA
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name2
Gloeophyllum odoratum
Mol2 Path
/TCM_database/2007_3d_all/14054.mol2
Reference
3972
Molecular Weight
166.060
Molecular Formula
C9H10O3
Fda Maximum Daily Dose (Fdamdd)
0.014
Quantitative Estimate Of Drug Likeness（Qed）
0.736