Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 3Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66652
- Core Entity Id
- 129301
- Source Entity Count
- 1
- Preferred Name
- 1-hexadecanal
- Name En
- Pubchem Id
- 984
- Smiles Canonical
- CCCCCCCCCCCCCCCC=O
- Molecular Formula
- C16H32O
- Molecular Weight
- 240.2500
- Inchikey
- NIOYUNMRJMEDGI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.1000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 14
- Drug Likeness
- Polar Surface Area
- 17.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-hexadecanal
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-hexadecanal
Itcmdb Generated
ITX-INGREDIENT-F84444DA2C1C
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
240.250
Molecular Formula
C16H32O
Fda Maximum Daily Dose (Fdamdd)
0.031
Quantitative Estimate Of Drug Likeness（Qed）
0.282