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
- 67484
- Core Entity Id
- 130133
- Source Entity Count
- 1
- Preferred Name
- 2'-Hydroxy-4-methoxychalcone
- Name En
- Pubchem Id
- 5331295
- Smiles Canonical
- COC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2O
- Molecular Formula
- C16H14O3
- Molecular Weight
- 254.0900
- Inchikey
- NXBNYUSXDBHELA-DHZHZOJOSA-N
- Inchi
- InChI=1S/C16H14O3/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-11,17H,1H3/b11-8+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.9000
- 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
2'-Hydroxy-4-methoxychalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2'-Hydroxy-4-methoxychalcone
Itcmdb Generated
ITX-INGREDIENT-054619D4054D
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
254.090
Molecular Formula
C16H14O3
Fda Maximum Daily Dose (Fdamdd)
0.567
Quantitative Estimate Of Drug Likeness（Qed）
0.672