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
- 69806
- Core Entity Id
- 132455
- Source Entity Count
- 1
- Preferred Name
- Adenosin
- Name En
- Pubchem Id
- 60961
- Smiles Canonical
- C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
- Molecular Formula
- C10H13N5O4
- Molecular Weight
- 267.1000
- Inchikey
- OIRDTQYFTABQOQ-KQYNXXCUSA-N
- Inchi
- InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.1000
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 140.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Adenosin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Adenosin
Itcmdb Generated
ITX-INGREDIENT-A5BA15C89DA0
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
267.100
Molecular Formula
C10H13N5O4
Fda Maximum Daily Dose (Fdamdd)
0.023
Quantitative Estimate Of Drug Likeness（Qed）
0.420