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
- 68041
- Core Entity Id
- 130690
- Source Entity Count
- 1
- Preferred Name
- 3-ethyl-5-methylphenol
- Name En
- Pubchem Id
- 12775
- Smiles Canonical
- CCC1=CC(=CC(=C1)C)O
- Molecular Formula
- C9H12O
- Molecular Weight
- 136.0900
- Inchikey
- XTCHLXABLZQNNN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H12O/c1-3-8-4-7(2)5-9(10)6-8/h4-6,10H,3H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.8000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-ethyl-5-methylphenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3-ethyl-5-methylphenol
Itcmdb Generated
ITX-INGREDIENT-3BF715B2C649
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
136.090
Molecular Formula
C9H12O
Fda Maximum Daily Dose (Fdamdd)
0.359
Quantitative Estimate Of Drug Likeness（Qed）
0.627