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
- 62130
- Core Entity Id
- 109148
- Source Entity Count
- 1
- Preferred Name
- Ethyl Hexadecanoate
- Name En
- Pubchem Id
- 12366
- Smiles Canonical
- CCCCCCCCCCCCCCCC(=O)OCC
- Molecular Formula
- C18H36O2
- Molecular Weight
- 284.2700
- Inchikey
- XIRNKXNNONJFQO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.8000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 16
- Drug Likeness
- Polar Surface Area
- 26.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ethyl Hexadecanoate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
ethyl hexadecanoate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
ethyl hexadecanoate
Itcmdb Generated
ITX-INGREDIENT-E91CE953F982
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Suppress
0
Molecular Weight
284.270
Molecular Formula
C18H36O2
Fda Maximum Daily Dose (Fdamdd)
0.012
Quantitative Estimate Of Drug Likeness（Qed）
0.271