Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66990
- Core Entity Id
- 129639
- Source Entity Count
- 1
- Preferred Name
- 2',4',5-trihydroxy-7-methoxyisoflavone
- Name En
- Pubchem Id
- 5281706
- Smiles Canonical
- COC1=CC(=C2C(=C1)OC=C(C2=O)C3=C(C=C(C=C3)O)O)O
- Molecular Formula
- C16H12O6
- Molecular Weight
- 300.0600
- Inchikey
- ALFNTRJPGFNJQV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-11(16(15)20)10-3-2-8(17)4-12(10)18/h2-7,17-19H,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.6000
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 96.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2',4',5-trihydroxy-7-methoxyisoflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2',4',5-trihydroxy-7-methoxyisoflavone
Itcmdb Generated
ITX-INGREDIENT-F1BBC9037613
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
300.060
Molecular Formula
C16H12O6
Fda Maximum Daily Dose (Fdamdd)
0.583
Quantitative Estimate Of Drug Likeness（Qed）
0.672