IngredientID 17644

Duc

C4H6N2O2

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Herb: 1Ingredient: 1Target: 4Links: 5
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
17644
Core Entity Id
22783
Source Entity Count
1
Preferred Name
Duc
Name En
Pubchem Id
649
Smiles Canonical
C1CNC(=O)NC1=O
Molecular Formula
C4H6N2O2
Molecular Weight
114.1040
Inchikey
OIVLITBTBDPEFK-UHFFFAOYSA-N
Inchi
InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)
Isomeric Smiles
C1CNC(=O)NC1=O
Cas Id
504-07-4
Ob Score
67.9016
Mol Logp
-0.7841
Num H Donors
2
Num H Acceptors
2
Num Rotatable Bonds
0
Drug Likeness
0.4340
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Duc
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
DUC
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Duc
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Duc
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Duc
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,3-diazinane-2,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-diazinane-2,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3-diazinane-2,4-dione
Role
alias
Source
TCMBank
Preferred
No
Name
2,4(1H,3H)-Pyrimidinedione, dihydro-
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4(1H,3H)-Pyrimidinedione, dihydro-
Role
alias
Source
TCMBank
Preferred
No
Name
2,4(1H,3H)-Pyrimidinedione, dihydro-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4(1H,3H)-Pyrimidinedione, dihydro- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
2,4-Dioxotetrahydropyrimidine
Role
alias
Source
TCMBank
Preferred
No
Name
3,4-DIHYDROURACIL
Role
alias
Source
TCMBank
Preferred
No
Name
4,5-dihydrouracil
Role
alias
Source
TCMBank
Preferred
No
Name
5,6-Dihydro-2,4(1H,3H)-pyrimidinedione
Role
alias
Source
TCMBank
Preferred
No
Name
5,6-Dihydro-2,4-dihydroxypyrimidine
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6-Dihydro-2,4-dihydroxypyrimidine
Role
alias
Source
TCMBank
Preferred
No
Name
5,6-Dihydro-2,4-dihydroxypyrimidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6-dihydrouracil
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6-dihydrouracil
Role
alias
Source
TCMBank
Preferred
No
Name
5,6-dihydrouracil
Role
alias
Source
itcmdb_public
Preferred
No
Name
504-07-4
Role
alias
Source
HERB_v2
Preferred
No
Name
504-07-4
Role
alias
Source
TCMBank
Preferred
No
Name
504-07-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
A2439/0103396
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-50443
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-081842
Role
alias
Source
TCMBank
Preferred
No
Name
C00429
Role
alias
Source
TCMBank
Preferred
No
Name
C03919
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:15901
Role
alias
Source
TCMBank
Preferred
No
Name
D7628_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
DI-H-URACIL
Role
alias
Source
TCMBank
Preferred
No
Name
DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE
Role
alias
Source
HERB_v2
Preferred
No
Name
DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE
Role
alias
Source
TCMBank
Preferred
No
Name
Dihydro Uracil
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dihydrouracile
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dihydrouracile
Role
alias
Source
TCMBank
Preferred
No
Name
Dihydrouracile
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 207-982-1
Role
alias
Source
TCMBank
Preferred
No
Name
FR-0140
Role
alias
Source
TCMBank
Preferred
No
Name
Hydrouracil
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydrouracil
Role
alias
Source
TCMBank
Preferred
No
Name
Hydrouracil
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydrouracil (6CI,8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Hydrouracil (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 11867
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00895228
Role
alias
Source
TCMBank
Preferred
No
Name
dihydrouracil
Role
alias
Source
HERB_v2
Preferred
No
Name
dihydrouracil
Role
alias
Source
TCMBank
Preferred
No
Name
hexahydropyrimidine-2,4-dione
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

1,3-diazinane-2,4-dione2,4(1H,3H)-Pyrimidinedione, dihydro-2,4(1H,3H)-Pyrimidinedione, dihydro- (9CI)2,4-Dioxotetrahydropyrimidine3,4-DIHYDROURACIL4,5-dihydrouracil5,6-Dihydro-2,4(1H,3H)-pyrimidinedione5,6-Dihydro-2,4-dihydroxypyrimidine5,6-dihydrouracil504-07-4A2439/0103396AI3-50443AIDS-081842C00429C03919CHEBI:15901D7628_SIGMADI-H-URACILDIHYDROPYRIMIDINE-2,4(1H,3H)-DIONEDihydro UracilDihydrouracileEINECS 207-982-1FR-0140HydrouracilHydrouracil (6CI,8CI)Hydrouracil (8CI)NSC 11867ZINC00895228dihydrouracilhexahydropyrimidine-2,4-dione

Cross References

Trusted external identifiers retained for this final record.

Cas
504-07-4
Herb
HBIN024539
Npass
NPC22579
Tcmsp
MOL004740
Sym Map
SMIT06600
Pub Chem
649
Tcmbank
TCMBANKIN033394

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)
Mol Wt
114.104
Cas Id
504-07-4
Smiles
C1CNC(=O)NC1=O
Mol Log P
-0.7841
Version
v1,v2
In Ch Ikey
OIVLITBTBDPEFK-UHFFFAOYSA-N
Ob Score
67.9015987667.90159967.902
Suppress
0
Num Hdonors
2
Drug Likeness
0.434
Num Hacceptors
2
Isomeric Smiles
C1CNC(=O)NC1=O
Molecule Weight
114.12
Canonical Smiles
C1CNC(=O)NC1=O
Herb Alias Names
dihydrouracil5,6-dihydrouracil504-07-4HydrouracilDIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE5,6-Dihydro-2,4-dihydroxypyrimidineDihydrouracileDihydro Uracil1,3-diazinane-2,4-dione2,4(1H,3H)-Pyrimidinedione, dihydro-
Molecular Weight
114.1
Molecular Formula
C4H6N2O2
Molecular Formula
C4H6N2O2
Num Rotatable Bonds
0