Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65930
- Core Entity Id
- 128579
- Source Entity Count
- 1
- Preferred Name
- 1-(4-benzylphenyl)ethanone
- Name En
- Pubchem Id
- 258457
- Smiles Canonical
- CC(=O)C1=CC=C(C=C1)CC2=CC=CC=C2
- Molecular Formula
- C15H14O
- Molecular Weight
- 210.1000
- Inchikey
- PPYJQGBEZQOXHC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H14O/c1-12(16)15-9-7-14(8-10-15)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.7000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 17.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-(4-benzylphenyl)ethanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-(4-benzylphenyl)ethanone
Itcmdb Generated
ITX-INGREDIENT-C4DAA5B5D80A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
210.100
Molecular Formula
C15H14O
Fda Maximum Daily Dose (Fdamdd)
0.026
Quantitative Estimate Of Drug Likeness（Qed）
0.709