Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 3Ingredient: 1Target: 4Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 62187
- Core Entity Id
- 109205
- Source Entity Count
- 1
- Preferred Name
- 1-Phenyl-1,2-Propanedione
- Name En
- Pubchem Id
- 11363
- Smiles Canonical
- CC(=O)C(=O)C1=CC=CC=C1
- Molecular Formula
- C9H8O2
- Molecular Weight
- 148.0500
- Inchikey
- BVQVLAIMHVDZEL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.7000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 34.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Phenyl-1,2-Propanedione
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-phenyl-1,2-propanedione
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-phenyl-1,2-propanedione
Itcmdb Generated
ITX-INGREDIENT-1C85D1EE34AF
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Suppress
0
Molecular Weight
148.050
Molecular Formula
C9H8O2
Fda Maximum Daily Dose (Fdamdd)
0.016
Quantitative Estimate Of Drug Likeness（Qed）
0.470