Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68939
- Core Entity Id
- 131588
- Source Entity Count
- 1
- Preferred Name
- 5-ethylundecane
- Name En
- Pubchem Id
- 519424
- Smiles Canonical
- CCCCCCC(CC)CCCC
- Molecular Formula
- C13H28
- Molecular Weight
- 184.2200
- Inchikey
- MKHPXJRMKJYYON-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H28/c1-4-7-9-10-12-13(6-3)11-8-5-2/h13H,4-12H2,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.0000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-ethylundecane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
5-ethylundecane
Itcmdb Generated
ITX-INGREDIENT-F5A573982120
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
184.220
Molecular Formula
C13H28
Fda Maximum Daily Dose (Fdamdd)
0.058
Quantitative Estimate Of Drug Likeness（Qed）
0.433