Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68427
- Core Entity Id
- 131076
- Source Entity Count
- 1
- Preferred Name
- 4,4'-dimethoxychalcone
- Name En
- Pubchem Id
- 5377817
- Smiles Canonical
- COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)OC
- Molecular Formula
- C17H16O3
- Molecular Weight
- 268.1100
- Inchikey
- HDXVSZWKIHQDES-LFYBBSHMSA-N
- Inchi
- InChI=1S/C17H16O3/c1-19-15-8-3-13(4-9-15)5-12-17(18)14-6-10-16(20-2)11-7-14/h3-12H,1-2H3/b12-5+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.0000
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 35.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4,4'-dimethoxychalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
4,4'-dimethoxychalcone
Itcmdb Generated
ITX-INGREDIENT-3E3D5D7C5212
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
268.110
Molecular Formula
C17H16O3
Fda Maximum Daily Dose (Fdamdd)
0.425
Quantitative Estimate Of Drug Likeness（Qed）
0.614