Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10482
- Core Entity Id
- 14812
- Source Entity Count
- 1
- Preferred Name
- Alpha-thymidine
- Name En
- Pubchem Id
- 5270603
- Smiles Canonical
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
- Molecular Formula
- C10H14N2O5
- Molecular Weight
- 242.2310
- Inchikey
- IQFYYKKMVGJFEH-RNJXMRFFSA-N
- Inchi
- InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8-/m0/s1
- Isomeric Smiles
- CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CO)O
- Cas Id
- 4449-43-8
- Ob Score
- 10.3940
- Mol Logp
- -1.5143
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5840
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alpha-Thymidine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Alpha-Thymidine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Alpha-thymidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Alpha-thymidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
alpha-Thymidine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-(2-Deoxy-alpha-D-ribofuranosyl)-5-methyluracil
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(2-Deoxy-alpha-D-ribofuranosyl)-5-methyluracil
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(2-Deoxy-alpha-D-ribofuranosyl)-5-methyluracil
Role
alias
Source
TCMBank
Preferred
No
Name
1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione
Role
alias
Source
TCMBank
Preferred
No
Name
1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Role
alias
Source
TCMBank
Preferred
No
Name
1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Role
alias
Source
TCMBank
Preferred
No
Name
1-[(2S,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone
Role
alias
Source
TCMBank
Preferred
No
Name
2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)-5-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)-5-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
4449-43-8
Role
alias
Source
TCMBank
Preferred
No
Name
4449-43-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
4449-43-8
Role
alias
Source
HERB_v2
Preferred
No
Name
AIDS-064542
Role
alias
Source
TCMBank
Preferred
No
Name
L-Thymidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Thymidine
Role
alias
Source
HERB_v2
Preferred
No
Name
NCIMech_000316
Role
alias
Source
TCMBank
Preferred
No
Name
YMX6U1R2W7
Role
alias
Source
HERB_v2
Preferred
No
Name
YMX6U1R2W7
Role
alias
Source
itcmdb_public
Preferred
No
Name
a-Thymidine
Role
alias
Source
HERB_v2
Preferred
No
Name
a-Thymidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-D-Thymidine
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-D-Thymidine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-(2-Deoxy-alpha-D-ribofuranosyl)-5-methyluracil1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione1-[(2S,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)-5-methyl-4449-43-8AIDS-064542L-ThymidineNCIMech_000316YMX6U1R2W7a-Thymidinealpha-D-Thymidine
Cross References
Trusted external identifiers retained for this final record.
Cas
4449-43-8
Herb
HBIN015726
Tcmsp
MOL007549
Sym Map
SMIT08960
Pub Chem
5270603
Tcmbank
TCMBANKIN006220
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8-/m0/s1
Mol Wt
242.231
Cas Id
4449-43-8
Smiles
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
Mol Log P
-1.514279999999999
Version
v1,v2
In Ch Ikey
IQFYYKKMVGJFEH-RNJXMRFFSA-N
Ob Score
10.39410.39417410.39417441
Suppress
0
Num Hdonors
3
Drug Likeness
0.584
Num Hacceptors
6
Isomeric Smiles
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CO)O
Molecule Weight
242.26
Canonical Smiles
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
Herb Alias Names
4449-43-8a-Thymidine1-(2-Deoxy-alpha-D-ribofuranosyl)-5-methyluracilYMX6U1R2W71-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dioneL-Thymidine1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dionealpha-D-Thymidine2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)-5-methyl-
Molecular Weight
242.23
Molecular Formula
C10H14N2O5
Molecular Formula
C10H14N2O5
Num Rotatable Bonds
2