Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68724
- Core Entity Id
- 131373
- Source Entity Count
- 1
- Preferred Name
- 4-undecanolide
- Name En
- Pubchem Id
- 7714
- Smiles Canonical
- CCCCCCCC1CCC(=O)O1
- Molecular Formula
- C11H20O2
- Molecular Weight
- 184.1500
- Inchikey
- PHXATPHONSXBIL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.3000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 26.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-undecanolide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
4-undecanolide
Itcmdb Generated
ITX-INGREDIENT-80411B06A158
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
184.150
Molecular Formula
C11H20O2
Fda Maximum Daily Dose (Fdamdd)
0.758
Quantitative Estimate Of Drug Likeness（Qed）
0.468