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: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67089
- Core Entity Id
- 129738
- Source Entity Count
- 1
- Preferred Name
- 2',6'-Dihydroxyacetophenone
- Name En
- Pubchem Id
- 69687
- Smiles Canonical
- CC(=O)C1=C(C=CC=C1O)O
- Molecular Formula
- C8H8O3
- Molecular Weight
- 152.0500
- Inchikey
- YPTJKHVBDCRKNF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.4000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 57.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2',6'-Dihydroxyacetophenone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2',6'-Dihydroxyacetophenone
Itcmdb Generated
ITX-INGREDIENT-98A31268A414
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
152.050
Molecular Formula
C8H8O3
Fda Maximum Daily Dose (Fdamdd)
0.030
Quantitative Estimate Of Drug Likeness（Qed）
0.596