Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67477
- Core Entity Id
- 130126
- Source Entity Count
- 1
- Preferred Name
- 2'-hydroxy-3,4,4'-trimethoxychalcone
- Name En
- Pubchem Id
- 5373273
- Smiles Canonical
- COC1=CC(=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OC)OC)O
- Molecular Formula
- C18H18O5
- Molecular Weight
- 314.1200
- Inchikey
- SKTAHPCCLORHHM-XBXARRHUSA-N
- Inchi
- InChI=1S/C18H18O5/c1-21-13-6-7-14(16(20)11-13)15(19)8-4-12-5-9-17(22-2)18(10-12)23-3/h4-11,20H,1-3H3/b8-4+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.8000
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 65.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2'-hydroxy-3,4,4'-trimethoxychalcone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2'-hydroxy-3,4,4'-trimethoxychalcone
Itcmdb Generated
ITX-INGREDIENT-1050638BE85C
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
314.120
Molecular Formula
C18H18O5
Fda Maximum Daily Dose (Fdamdd)
0.672
Quantitative Estimate Of Drug Likeness（Qed）
0.654