Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1019
- Core Entity Id
- 4328
- Source Entity Count
- 1
- Preferred Name
- 2',5'-dihydroxy-4'-methylacetophenone
- Name En
- Pubchem Id
- 3305216
- Smiles Canonical
- Molecular Formula
- C9H10O3
- Molecular Weight
- 166.1700
- Inchikey
- RYZUSWFYHRXXRU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H10O3/c1-5-3-9(12)7(6(2)10)4-8(5)11/h3-4,11-12H,1-2H3
- Isomeric Smiles
- Cas Id
- 54698-17-8
- Ob Score
- Mol Logp
- 1.8000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 57.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2',5'-dihydroxy-4'-methylacetophenone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2',5'-dihydroxy-4'-methylacetophenone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2',5'-dihydroxy-4'-methylacetophenone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,5-dihydroxy-4-methylacetophenone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
2,5-dihydroxy-4-methylacetophenone
Cross References
Trusted external identifiers retained for this final record.
Cas
54698-17-8
Herb
HBIN004627
Tcm Id
8855
Tcmbank
TCMBANKIN007525
Etcm Ingredient
2,5-dihydroxy-4-methylacetophenone
Itcmdb Generated
ITX-INGREDIENT-522676BD4BE6
Attributes
Merged source attributes and domain-specific metadata.
Cas Id
54698-17-8
Molecular Weight
166.060
Molecular Weight
166.17
Molecular Formula
C9H10O3
Molecular Formula
C9H10O3
Molecular Formula
C9H10O3
Fda Maximum Daily Dose (Fdamdd)
0.798
Quantitative Estimate Of Drug Likeness（Qed）
0.492