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
- 67376
- Core Entity Id
- 130025
- Source Entity Count
- 1
- Preferred Name
- 2-Aminopurine
- Name En
- Pubchem Id
- 9955
- Smiles Canonical
- C1=C2C(=NC(=N1)N)N=CN2
- Molecular Formula
- C5H5N5
- Molecular Weight
- 135.0500
- Inchikey
- MWBWWFOAEOYUST-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.2000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 80.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Aminopurine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2-Aminopurine
Itcmdb Generated
ITX-INGREDIENT-39A570C66319
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
135.050
Molecular Formula
C5H5N5
Fda Maximum Daily Dose (Fdamdd)
0.810
Quantitative Estimate Of Drug Likeness（Qed）
0.466