Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64302
- Core Entity Id
- 111320
- Source Entity Count
- 1
- Preferred Name
- Methyl Hexanoate
- Name En
- Pubchem Id
- 7824
- Smiles Canonical
- CCCCCC(=O)OC
- Molecular Formula
- C7H14O2
- Molecular Weight
- 130.1000
- Inchikey
- NUKZAGXMHTUAFE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.5000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 26.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methyl Hexanoate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
methyl hexanoate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT25386
Etcm Ingredient
methyl hexanoate
Itcmdb Generated
ITX-INGREDIENT-919BA7420F82ITX-INGREDIENT-D25A02DF5725
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Molecular Weight
130.100
Molecular Formula
C7H14O2
Fda Maximum Daily Dose (Fdamdd)
0.031
Quantitative Estimate Of Drug Likeness（Qed）
0.428