IngredientID 68849

5,7-dihydrox-4'-methoxyisoflavone

C16H12O5

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 1Ingredient: 1Target: 14Links: 15
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
68849
Core Entity Id
131498
Source Entity Count
1
Preferred Name
5,7-dihydrox-4'-methoxyisoflavone
Name En
Pubchem Id
5280373
Smiles Canonical
COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O
Molecular Formula
C16H12O5
Molecular Weight
284.0700
Inchikey
WUADCCWRTIWANL-UHFFFAOYSA-N
Inchi
InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
Isomeric Smiles
Cas Id
Ob Score
Mol Logp
3.0000
Num H Donors
2
Num H Acceptors
5
Num Rotatable Bonds
2
Drug Likeness
Polar Surface Area
76.0000
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
5,7-dihydrox-4'-methoxyisoflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes

Cross References

Trusted external identifiers retained for this final record.

Etcm Ingredient
5,7-dihydrox-4'-methoxyisoflavone
Itcmdb Generated
ITX-INGREDIENT-79C411AF5487

Attributes

Merged source attributes and domain-specific metadata.

Molecular Weight
284.070
Molecular Formula
C16H12O5
Fda Maximum Daily Dose (Fdamdd)
0.482
Quantitative Estimate Of Drug Likeness(Qed)
0.756