Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65711
- Core Entity Id
- 128360
- Source Entity Count
- 1
- Preferred Name
- (E)-4-oxonon-2-enal
- Name En
- Pubchem Id
- 6445537
- Smiles Canonical
- CCCCCC(=O)C=CC=O
- Molecular Formula
- C9H14O2
- Molecular Weight
- 154.1000
- Inchikey
- SEPPVOUBHWNCAW-FNORWQNLSA-N
- Inchi
- InChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-8H,2-4,6H2,1H3/b7-5+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.6000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 34.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(E)-4-oxonon-2-enal
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(E)-4-oxonon-2-enal
Itcmdb Generated
ITX-INGREDIENT-7463360E5EE3
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
154.100
Molecular Formula
C9H14O2
Fda Maximum Daily Dose (Fdamdd)
0.029
Quantitative Estimate Of Drug Likeness（Qed）
0.432