Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 2Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68550
- Core Entity Id
- 131199
- Source Entity Count
- 1
- Preferred Name
- 4H-1-Benzopyran-4-one
- Name En
- Pubchem Id
- 10286
- Smiles Canonical
- C1=CC=C2C(=C1)C(=O)C=CO2
- Molecular Formula
- C20H32O3
- Molecular Weight
- 320.2400
- Inchikey
- OTAFHZMPRISVEM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.4000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 26.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4H-1-Benzopyran-4-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
4H-1-Benzopyran-4-one
Itcmdb Generated
ITX-INGREDIENT-67E75166471F
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
320.240
Molecular Formula
C20H32O3
Fda Maximum Daily Dose (Fdamdd)
0.970
Quantitative Estimate Of Drug Likeness（Qed）
0.752