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
- 68712
- Core Entity Id
- 131361
- Source Entity Count
- 1
- Preferred Name
- 4-Quinolinecarboxaldehyde
- Name En
- Pubchem Id
- 78072
- Smiles Canonical
- C1=CC=C2C(=C1)C(=CC=N2)C=O
- Molecular Formula
- C10H7NO
- Molecular Weight
- 157.0500
- Inchikey
- MGCGJBXTNWUHQE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H7NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-7H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.4000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 30.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Quinolinecarboxaldehyde
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
4-Quinolinecarboxaldehyde
Itcmdb Generated
ITX-INGREDIENT-66DC7D230F53
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
157.050
Molecular Formula
C10H7NO
Fda Maximum Daily Dose (Fdamdd)
0.087
Quantitative Estimate Of Drug Likeness（Qed）
0.593