Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 7Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68072
- Core Entity Id
- 130721
- Source Entity Count
- 1
- Preferred Name
- 3-Hydroxy-4H-pyran-4-one
- Name En
- Pubchem Id
- 68129
- Smiles Canonical
- C1=COC=C(C1=O)O
- Molecular Formula
- C5H4O3
- Molecular Weight
- 112.0200
- Inchikey
- VEYIMQVTPXPUHA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H4O3/c6-4-1-2-8-3-5(4)7/h1-3,7H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.3454
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 46.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Hydroxy-4H-pyran-4-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3-Hydroxy-4H-pyran-4-one
Itcmdb Generated
ITX-INGREDIENT-2417BA990483
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
112.020
Molecular Formula
C5H4O3
Fda Maximum Daily Dose (Fdamdd)
0.015
Quantitative Estimate Of Drug Likeness（Qed）
0.526