Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69110
- Core Entity Id
- 131759
- Source Entity Count
- 1
- Preferred Name
- 6,7-Dihydroxy-2H-chromen-2-one
- Name En
- Pubchem Id
- 5281416
- Smiles Canonical
- C1=CC(=O)OC2=CC(=C(C=C21)O)O
- Molecular Formula
- C9H6O4
- Molecular Weight
- 178.0300
- Inchikey
- ILEDWLMCKZNDJK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.2000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 66.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6,7-Dihydroxy-2H-chromen-2-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
6,7-Dihydroxy-2H-chromen-2-one
Itcmdb Generated
ITX-INGREDIENT-58B07CC2191D
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
178.030
Molecular Formula
C9H6O4
Fda Maximum Daily Dose (Fdamdd)
0.561
Quantitative Estimate Of Drug Likeness（Qed）
0.469