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
- 68556
- Core Entity Id
- 131205
- Source Entity Count
- 1
- Preferred Name
- 4-hexyl-2,5-dihydro-2,5-dioxo-3-furanacetic acid
- Name En
- Pubchem Id
- 580944
- Smiles Canonical
- CCCCCCC1=C(C(=O)OC1=O)CC(=O)O
- Molecular Formula
- C12H16O5
- Molecular Weight
- 240.1000
- Inchikey
- UMHSTRUKUXAWBA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H16O5/c1-2-3-4-5-6-8-9(7-10(13)14)12(16)17-11(8)15/h2-7H2,1H3,(H,13,14)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.3000
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 80.7000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-hexyl-2,5-dihydro-2,5-dioxo-3-furanacetic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
4-hexyl-2,5-dihydro-2,5-dioxo-3-furanacetic acid
Itcmdb Generated
ITX-INGREDIENT-EB5974CF7C73
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
240.100
Molecular Formula
C12H16O5
Fda Maximum Daily Dose (Fdamdd)
0.006
Quantitative Estimate Of Drug Likeness（Qed）
0.663