Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 7Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66747
- Core Entity Id
- 129396
- Source Entity Count
- 1
- Preferred Name
- 1-nonanoic acid
- Name En
- Pubchem Id
- 8158
- Smiles Canonical
- CCCCCCCCC(=O)O
- Molecular Formula
- C9H18O2
- Molecular Weight
- 158.1300
- Inchikey
- FBUKVWPVBMHYJY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.5000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-nonanoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-nonanoic acid
Itcmdb Generated
ITX-INGREDIENT-EA3348BCD81D
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
158.130
Molecular Formula
C9H18O2
Fda Maximum Daily Dose (Fdamdd)
0.018
Quantitative Estimate Of Drug Likeness（Qed）
0.578