Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66886
- Core Entity Id
- 129535
- Source Entity Count
- 1
- Preferred Name
- 2,2',4-trihydroxychalcone
- Name En
- Pubchem Id
- 460715
- Smiles Canonical
- C1=CC=C(C(=C1)C(=O)C=CC2=C(C=C(C=C2)O)O)O
- Molecular Formula
- C15H12O4
- Molecular Weight
- 256.0700
- Inchikey
- ZLEFYDUXMWKPSH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O4/c16-11-7-5-10(15(19)9-11)6-8-14(18)12-3-1-2-4-13(12)17/h1-9,16-17,19H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.2000
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 77.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,2',4-trihydroxychalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2,2',4-trihydroxychalcone
Itcmdb Generated
ITX-INGREDIENT-8E9AE44D98FC
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
256.070
Molecular Formula
C15H12O4
Fda Maximum Daily Dose (Fdamdd)
0.471
Quantitative Estimate Of Drug Likeness（Qed）
0.583