Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67871
- Core Entity Id
- 130520
- Source Entity Count
- 1
- Preferred Name
- 3,5-Dihydroxy-4-methylbenzoic acid
- Name En
- Pubchem Id
- 2748045
- Smiles Canonical
- CC1=C(C=C(C=C1O)C(=O)O)O
- Molecular Formula
- C8H8O4
- Molecular Weight
- 168.0400
- Inchikey
- KMRRXSZDSGYLCD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O4/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3,9-10H,1H3,(H,11,12)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.1000
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 77.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,5-Dihydroxy-4-methylbenzoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3,5-Dihydroxy-4-methylbenzoic acid
Itcmdb Generated
ITX-INGREDIENT-9F4222726C98
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
168.040
Molecular Formula
C8H8O4
Fda Maximum Daily Dose (Fdamdd)
0.019
Quantitative Estimate Of Drug Likeness（Qed）
0.586