Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 8Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1786
- Core Entity Id
- 5173
- Source Entity Count
- 1
- Preferred Name
- 2'-deoxyinosine
- Name En
- Pubchem Id
- 135398593
- Smiles Canonical
- C1C(C(OC1N2C=NC3=C2N=CNC3=O)CO)O
- Molecular Formula
- C10H12N4O4
- Molecular Weight
- 252.2300
- Inchikey
- VGONTNSXDCQUGY-RRKCRQDMSA-N
- Inchi
- InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1
- Isomeric Smiles
- C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)CO)O
- Cas Id
- 29868-32-4
- Ob Score
- Mol Logp
- -1.2397
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6160
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2'-deoxyinosine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2'-deoxyinosine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2'-deoxyinosine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
890-38-0
Role
alias
Source
HERB_v2
Preferred
No
Name
890-38-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
9-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine
Role
alias
Source
HERB_v2
Preferred
No
Name
9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Didanosine impurity C
Role
alias
Source
HERB_v2
Preferred
No
Name
Didanosine impurity C
Role
alias
Source
itcmdb_public
Preferred
No
Name
Inosine, 2'-deoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Inosine, 2'-deoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-HN0RQ6SBWQ
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-HN0RQ6SBWQ
Role
alias
Source
itcmdb_public
Preferred
No
Name
d-Ino
Role
alias
Source
HERB_v2
Preferred
No
Name
d-Ino
Role
alias
Source
itcmdb_public
Preferred
No
Name
delta-Ino
Role
alias
Source
HERB_v2
Preferred
No
Name
delta-Ino
Role
alias
Source
itcmdb_public
Preferred
No
Name
deoxyinosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
deoxyinosine
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
890-38-09-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-ol9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthineDidanosine impurity CInosine, 2'-deoxy-UNII-HN0RQ6SBWQd-Inodelta-Inodeoxyinosine
Cross References
Trusted external identifiers retained for this final record.
Cas
29868-32-4
Herb
HBIN005528
Tcmid
23272
Tcm Id
8666
Pub Chem
135398593
Tcmbank
TCMBANKIN019931
Drug Bank
DB02380
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1
Mol Wt
252.23
Cas Id
29868-32-4
Smiles
C1C(C(OC1N2C=NC3=C2N=CNC3=O)CO)O
Mol Log P
-1.2397
In Ch Ikey
VGONTNSXDCQUGY-RRKCRQDMSA-N
Num Hdonors
3
Drug Likeness
0.616
Num Hacceptors
7
Isomeric Smiles
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)CO)O
Canonical Smiles
C1C(C(OC1N2C=NC3=C2N=CNC3=O)CO)O
Herb Alias Names
890-38-0deoxyinosineInosine, 2'-deoxy-9-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-oldelta-Inod-InoDidanosine impurity C9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthineUNII-HN0RQ6SBWQ
Molecular Weight
252.23
Molecular Formula
C10H12N4O4
Molecular Formula
C10H12N4O4
Num Rotatable Bonds
2