Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68160
- Core Entity Id
- 130809
- Source Entity Count
- 1
- Preferred Name
- 3-methyladenine
- Name En
- Pubchem Id
- 135398661
- Smiles Canonical
- CN1C=NC(=N)C2=C1N=CN2
- Molecular Formula
- C6H7N5
- Molecular Weight
- 149.0700
- Inchikey
- ZPBYVFQJHWLTFB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3,7H,1H3,(H,8,9)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.2000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 68.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-methyladenine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3-methyladenine
Itcmdb Generated
ITX-INGREDIENT-851208BFA235
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
149.070
Molecular Formula
C6H7N5
Fda Maximum Daily Dose (Fdamdd)
0.047
Quantitative Estimate Of Drug Likeness（Qed）
0.543