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
- 65913
- Core Entity Id
- 128562
- Source Entity Count
- 1
- Preferred Name
- 1-(2-Hydroxy-5-methylphenyl)ethanone
- Name En
- Pubchem Id
- 15068
- Smiles Canonical
- CC1=CC(=C(C=C1)O)C(=O)C
- Molecular Formula
- C9H10O2
- Molecular Weight
- 150.0700
- Inchikey
- YNPDFBFVMJNGKZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.3000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-(2-Hydroxy-5-methylphenyl)ethanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-(2-Hydroxy-5-methylphenyl)ethanone
Itcmdb Generated
ITX-INGREDIENT-ADDF973F4679
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
150.070
Molecular Formula
C9H10O2
Fda Maximum Daily Dose (Fdamdd)
0.108
Quantitative Estimate Of Drug Likeness（Qed）
0.621