IngredientID 65885
[7-Hydroxy-2-(4-hydroxy-phenyl)-4-oxo-4H-chromen-5-yl]-acetic acid
C16H10O7
Relationship Network
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Herb: 1Ingredient: 1Target: 1Links: 3
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65885
- Core Entity Id
- 128534
- Source Entity Count
- 1
- Preferred Name
- [7-Hydroxy-2-(4-hydroxy-phenyl)-4-oxo-4H-chromen-5-yl]-acetic acid
- Name En
- Pubchem Id
- 49776864
- Smiles Canonical
- C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)CC(=O)O)O
- Molecular Formula
- C16H10O7
- Molecular Weight
- 314.0400
- Inchikey
- HJARIJMNOKTLGY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H12O6/c18-11-3-1-9(2-4-11)14-8-13(20)17-10(6-16(21)22)5-12(19)7-15(17)23-14/h1-5,7-8,18-19H,6H2,(H,21,22)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.9000
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 104.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
[7-Hydroxy-2-(4-hydroxy-phenyl)-4-oxo-4H-chromen-5-yl]-acetic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
[7-Hydroxy-2-(4-hydroxy-phenyl)-4-oxo-4H-chromen-5-yl]-acetic acid
Itcmdb Generated
ITX-INGREDIENT-084F8A77BCE9
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
314.040
Molecular Formula
C16H10O7
Fda Maximum Daily Dose (Fdamdd)
0.579
Quantitative Estimate Of Drug Likeness（Qed）
0.491