Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 3Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64521
- Core Entity Id
- 111539
- Source Entity Count
- 1
- Preferred Name
- Phenacetin
- Name En
- Pubchem Id
- 4754
- Smiles Canonical
- CCOC1=CC=C(C=C1)NC(=O)C
- Molecular Formula
- C10H13NO2
- Molecular Weight
- 179.0900
- Inchikey
- CPJSUEIXXCENMM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.6000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 38.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Phenacetin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Phenacetin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
phenacetin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT26081
Etcm Ingredient
phenacetin
Itcmdb Generated
ITX-INGREDIENT-582DF7867D84ITX-INGREDIENT-828787424DBA
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Version
v2
Suppress
0
Molecular Weight
179.090
Molecular Formula
C10H13NO2
Fda Maximum Daily Dose (Fdamdd)
0.028
Quantitative Estimate Of Drug Likeness（Qed）
0.771