Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69935
- Core Entity Id
- 132584
- Source Entity Count
- 1
- Preferred Name
- allopurinol
- Name En
- Pubchem Id
- 135401907
- Smiles Canonical
- C1=NNC2=C1C(=O)NC=N2
- Molecular Formula
- C5H4N4O
- Molecular Weight
- 136.0400
- Inchikey
- OFCNXPDARWKPPY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.7000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 70.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
allopurinol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
allopurinol
Itcmdb Generated
ITX-INGREDIENT-05DC817F066D
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
136.040
Molecular Formula
C5H4N4O
Fda Maximum Daily Dose (Fdamdd)
0.022
Quantitative Estimate Of Drug Likeness（Qed）
0.519