Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68580
- Core Entity Id
- 131229
- Source Entity Count
- 1
- Preferred Name
- 4'-hydroxy-4-methoxychalcone
- Name En
- Pubchem Id
- 5355594
- Smiles Canonical
- COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)O
- Molecular Formula
- C16H14O3
- Molecular Weight
- 254.0900
- Inchikey
- RTCVAWRRHHSOCC-NYYWCZLTSA-N
- Inchi
- InChI=1S/C16H14O3/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11,17H,1H3/b11-4+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.7000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 46.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4'-hydroxy-4-methoxychalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
4'-hydroxy-4-methoxychalcone
Itcmdb Generated
ITX-INGREDIENT-7FC99A7FC66C
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
254.090
Molecular Formula
C16H14O3
Fda Maximum Daily Dose (Fdamdd)
0.387
Quantitative Estimate Of Drug Likeness（Qed）
0.672