Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68934
- Core Entity Id
- 131583
- Source Entity Count
- 1
- Preferred Name
- 5-ethoxy-1,7-diphenylheptan-3-one
- Name En
- Pubchem Id
- 133561538
- Smiles Canonical
- CCOC(CCC1=CC=CC=C1)CC(=O)CCC2=CC=CC=C2
- Molecular Formula
- C21H26O2
- Molecular Weight
- 310.1900
- Inchikey
- JPBNNSYVQVSHBG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H26O2/c1-2-23-21(16-14-19-11-7-4-8-12-19)17-20(22)15-13-18-9-5-3-6-10-18/h3-12,21H,2,13-17H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.4000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 10
- Drug Likeness
- Polar Surface Area
- 26.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-ethoxy-1,7-diphenylheptan-3-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
5-ethoxy-1,7-diphenylheptan-3-one
Itcmdb Generated
ITX-INGREDIENT-D5CAE695E577
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
310.190
Molecular Formula
C21H26O2
Fda Maximum Daily Dose (Fdamdd)
0.544
Quantitative Estimate Of Drug Likeness（Qed）
0.640