Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67380
- Core Entity Id
- 130029
- Source Entity Count
- 1
- Preferred Name
- 2-benzyl-4,6-dihydroxybenzoic acid
- Name En
- Pubchem Id
- 162881997
- Smiles Canonical
- C1=CC=C(C=C1)CC2=C(C(=CC(=C2)O)O)C(=O)O
- Molecular Formula
- C11H14O4
- Molecular Weight
- 210.0900
- Inchikey
- JJZORPAULBCJKE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H12O4/c15-11-7-10(6-9-4-2-1-3-5-9)13(14(17)18)12(16)8-11/h1-5,7-8,15-16H,6H2,(H,17,18)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.2000
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 77.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-benzyl-4,6-dihydroxybenzoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2-benzyl-4,6-dihydroxybenzoic acid
Itcmdb Generated
ITX-INGREDIENT-E3BDCF1CBE22
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
210.090
Molecular Formula
C11H14O4
Fda Maximum Daily Dose (Fdamdd)
0.190
Quantitative Estimate Of Drug Likeness（Qed）
0.667