Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 6Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66994
- Core Entity Id
- 129643
- Source Entity Count
- 1
- Preferred Name
- 2',4',6'-trihydroxy-4-methoxychalcone
- Name En
- Pubchem Id
- 13990811
- Smiles Canonical
- COC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2O)O)O
- Molecular Formula
- C16H14O5
- Molecular Weight
- 286.0800
- Inchikey
- DGUBZDXYXXUHTJ-QPJJXVBHSA-N
- Inchi
- InChI=1S/C16H14O5/c1-21-12-5-2-10(3-6-12)4-7-13(18)16-14(19)8-11(17)9-15(16)20/h2-9,17,19-20H,1H3/b7-4+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.1000
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 87.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2',4',6'-trihydroxy-4-methoxychalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2',4',6'-trihydroxy-4-methoxychalcone
Itcmdb Generated
ITX-INGREDIENT-A141984AED97
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
286.080
Molecular Formula
C16H14O5
Fda Maximum Daily Dose (Fdamdd)
0.842
Quantitative Estimate Of Drug Likeness（Qed）
0.594