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
- 72663
- Core Entity Id
- 135312
- Source Entity Count
- 1
- Preferred Name
- Indole-4-carboxaldehyde
- Name En
- Pubchem Id
- 333703
- Smiles Canonical
- C1=CC(=C2C=CNC2=C1)C=O
- Molecular Formula
- C9H7NO
- Molecular Weight
- 145.0500
- Inchikey
- JFDDFGLNZWNJTK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.2000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 32.9000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Indole-4-carboxaldehyde
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Indole-4-carboxaldehyde
Itcmdb Generated
ITX-INGREDIENT-0425219DC724
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
145.050
Molecular Formula
C9H7NO
Fda Maximum Daily Dose (Fdamdd)
0.361
Quantitative Estimate Of Drug Likeness（Qed）
0.611