Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68474
- Core Entity Id
- 131123
- Source Entity Count
- 1
- Preferred Name
- 4,7-Dimethyl-2H-1-benzopyran-2-one
- Name En
- Pubchem Id
- 318539
- Smiles Canonical
- CC1=CC2=C(C=C1)C(=CC(=O)O2)C
- Molecular Formula
- C11H10O2
- Molecular Weight
- 174.0700
- Inchikey
- MUMAHEBVYSIROC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H10O2/c1-7-3-4-9-8(2)6-11(12)13-10(9)5-7/h3-6H,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.6000
- 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
4,7-Dimethyl-2H-1-benzopyran-2-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
4,7-Dimethyl-2H-1-benzopyran-2-one
Itcmdb Generated
ITX-INGREDIENT-9AFF1782CDF9
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
174.070
Molecular Formula
C11H10O2
Fda Maximum Daily Dose (Fdamdd)
0.736
Quantitative Estimate Of Drug Likeness（Qed）
0.574