Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 18Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67421
- Core Entity Id
- 130070
- Source Entity Count
- 1
- Preferred Name
- 2'-deoxyadenosine
- Name En
- Pubchem Id
- 13730
- Smiles Canonical
- C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O
- Molecular Formula
- C10H13N5O3
- Molecular Weight
- 251.1000
- Inchikey
- OLXZPDWKRNYJJZ-RRKCRQDMSA-N
- Inchi
- InChI=1S/C10H13N5O3/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)/t5-,6+,7+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.5000
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 119.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2'-deoxyadenosine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2'-deoxyadenosine
Itcmdb Generated
ITX-INGREDIENT-B6E45502AF7D
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
251.100
Molecular Formula
C10H13N5O3
Fda Maximum Daily Dose (Fdamdd)
0.733
Quantitative Estimate Of Drug Likeness（Qed）
0.539