Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68944
- Core Entity Id
- 131593
- Source Entity Count
- 1
- Preferred Name
- 5-Hexyldihydro-2(3H)-furanone
- Name En
- Pubchem Id
- 12813
- Smiles Canonical
- CCCCCCC1CCC(=O)O1
- Molecular Formula
- C10H18O2
- Molecular Weight
- 170.1300
- Inchikey
- IFYYFLINQYPWGJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.7000
- 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
5-Hexyldihydro-2(3H)-furanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
5-Hexyldihydro-2(3H)-furanone
Itcmdb Generated
ITX-INGREDIENT-46C0CB30D1D7
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
170.130
Molecular Formula
C10H18O2
Fda Maximum Daily Dose (Fdamdd)
0.767
Quantitative Estimate Of Drug Likeness（Qed）
0.468