Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67780
- Core Entity Id
- 130429
- Source Entity Count
- 1
- Preferred Name
- 3,4,2',4'-tetrahydroxychalcone
- Name En
- Pubchem Id
- 5281222
- Smiles Canonical
- C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O)O
- Molecular Formula
- C15H12O5
- Molecular Weight
- 272.0700
- Inchikey
- AYMYWHCQALZEGT-ORCRQEGFSA-N
- Inchi
- InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.8000
- Num H Donors
- 4
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 98.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,4,2',4'-tetrahydroxychalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3,4,2',4'-tetrahydroxychalcone
Itcmdb Generated
ITX-INGREDIENT-397DA37D41A3
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
272.070
Molecular Formula
C15H12O5
Fda Maximum Daily Dose (Fdamdd)
0.662
Quantitative Estimate Of Drug Likeness（Qed）
0.391