Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 14Links: 25
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67422
- Core Entity Id
- 130071
- Source Entity Count
- 1
- Preferred Name
- 2'-Deoxyadenosine monohydrate
- Name En
- Pubchem Id
- 9549172
- Smiles Canonical
- C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O.O
- Molecular Formula
- C10H15N5O4
- Molecular Weight
- 269.1100
- Inchikey
- WZJWHIMNXWKNTO-VWZUFWLJSA-N
- Inchi
- InChI=1S/C10H13N5O3.H2O/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7;/h3-7,16-17H,1-2H2,(H2,11,12,13);1H2/t5-,6+,7+;/m0./s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.7755
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 120.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2'-Deoxyadenosine monohydrate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2'-Deoxyadenosine monohydrate
Itcmdb Generated
ITX-INGREDIENT-06C1EC1E769A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
269.110
Molecular Formula
C10H15N5O4
Fda Maximum Daily Dose (Fdamdd)
0.733
Quantitative Estimate Of Drug Likeness（Qed）
0.539