Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 3Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67046
- Core Entity Id
- 129695
- Source Entity Count
- 1
- Preferred Name
- 2,5-Dihydroxytoluene
- Name En
- Pubchem Id
- 7253
- Smiles Canonical
- CC1=C(C=CC(=C1)O)O
- Molecular Formula
- C7H8O2
- Molecular Weight
- 124.0500
- Inchikey
- CNHDIAIOKMXOLK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.0000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 40.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,5-Dihydroxytoluene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2,5-Dihydroxytoluene
Itcmdb Generated
ITX-INGREDIENT-ED9F93544320
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
124.050
Molecular Formula
C7H8O2
Fda Maximum Daily Dose (Fdamdd)
0.563
Quantitative Estimate Of Drug Likeness（Qed）
0.513