Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67892
- Core Entity Id
- 130541
- Source Entity Count
- 1
- Preferred Name
- 3,5-dimethylphenol
- Name En
- Pubchem Id
- 7948
- Smiles Canonical
- CC1=CC(=CC(=C1)O)C
- Molecular Formula
- C8H10O
- Molecular Weight
- 122.0700
- Inchikey
- TUAMRELNJMMDMT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.4000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,5-dimethylphenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3,5-dimethylphenol
Itcmdb Generated
ITX-INGREDIENT-C275C08B47B6
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
122.070
Molecular Formula
C8H10O
Fda Maximum Daily Dose (Fdamdd)
0.375
Quantitative Estimate Of Drug Likeness（Qed）
0.558