Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 6Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66984
- Core Entity Id
- 129633
- Source Entity Count
- 1
- Preferred Name
- 2',4,4'-trimethoxychalcone
- Name En
- Pubchem Id
- 6063342
- Smiles Canonical
- COC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)OC)OC
- Molecular Formula
- C18H18O4
- Molecular Weight
- 298.1200
- Inchikey
- HVAKUYCEWDPRCA-IZZDOVSWSA-N
- Inchi
- InChI=1S/C18H18O4/c1-20-14-7-4-13(5-8-14)6-11-17(19)16-10-9-15(21-2)12-18(16)22-3/h4-12H,1-3H3/b11-6+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.6000
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 44.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2',4,4'-trimethoxychalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2',4,4'-trimethoxychalcone
Itcmdb Generated
ITX-INGREDIENT-F51A2CD3DB49
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
298.120
Molecular Formula
C18H18O4
Fda Maximum Daily Dose (Fdamdd)
0.119
Quantitative Estimate Of Drug Likeness（Qed）
0.603