Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16056
- Core Entity Id
- 21015
- Source Entity Count
- 1
- Preferred Name
- Cytidylic acid b
- Name En
- Pubchem Id
- 66535
- Smiles Canonical
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)O)O
- Molecular Formula
- C9H14N3O8P
- Molecular Weight
- 323.1980
- Inchikey
- UOOOPKANIPLQPU-XVFCMESISA-N
- Inchi
- InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
- Isomeric Smiles
- C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.4460
- Num H Donors
- 5
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cytidylic acid B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cytidylic acid B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cytidylic acid b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cytidylic acid b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
GOU QI YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese WoIfberry Leaf
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3'-CMP
Role
alias
Source
itcmdb_public
Preferred
No
Name
3'-CMP
Role
alias
Source
HERB_v2
Preferred
No
Name
3'-Cytidylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Cytidylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
6DZL5I6D4D
Role
alias
Source
itcmdb_public
Preferred
No
Name
6DZL5I6D4D
Role
alias
Source
HERB_v2
Preferred
No
Name
84-52-6
Role
alias
Source
HERB_v2
Preferred
No
Name
84-52-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cytidine 3'-monophosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
Cytidine 3'-phosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cytidine 3'-phosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
Cytidine-3'-Monophosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
cytidylicacid b
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
GOU QI YEChinese WoIfberry Leaf3'-CMP3'-Cytidylic acid3-Cytidylic acid6DZL5I6D4D84-52-6Cytidine 3'-monophosphateCytidine 3'-phosphateCytidine-3'-Monophosphatecytidylicacid b
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022521
Npass
NPC6166
Tcmid
260534592
Pub Chem
66535
Tcmbank
TCMBANKIN047017
Etcm Ingredient
Cytidylic acid B
Itcmdb Generated
ITX-INGREDIENT-8FA2D5D0E56A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Mol Wt
323.198
Mol Log P
-2.446
In Ch Ikey
UOOOPKANIPLQPU-XVFCMESISA-N
Tcm Name2
GOU QI YE
Mol2 Path
/TCM_database/2007_3d_all/04593.mol2
Reference
6
Num Hdonors
5
Tcm Name En
Chinese WoIfberry Leaf
Drug Likeness
0.374
Num Hacceptors
9
Isomeric Smiles
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O
Canonical Smiles
C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)O)O
Herb Alias Names
Cytidine 3'-monophosphate84-52-63'-Cytidylic acid3'-CMPCytidine-3'-Monophosphate3-Cytidylic acidCytidine 3-monophosphateCytidine 3'-phosphateCytidine-3/'-Monophosphate6DZL5I6D4D
Molecular Weight
323.050
Molecular Formula
C9H14N3O8P
Molecular Formula
C9H14N3O8P
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.184
Quantitative Estimate Of Drug Likeness（Qed）
0.379