Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 4Ingredient: 1Target: 8Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28671
- Core Entity Id
- 35055
- Source Entity Count
- 1
- Preferred Name
- Orotic acid
- Name En
- Pubchem Id
- 23683036
- Smiles Canonical
- C1=C(NC(=O)NC1=O)C(=O)[O-].[Na+]
- Molecular Formula
- C5H4N2O4
- Molecular Weight
- 156.0970
- Inchikey
- PXQPEWDEAKTCGB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
- Isomeric Smiles
- C1=C(NC(=O)NC1=O)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.2386
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Orotic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Orotic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Orotic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Orotic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
orotic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
154-85-8
Role
alias
Source
TCMBank
Preferred
No
Name
1K54797G2Z
Role
alias
Source
TCMBank
Preferred
No
Name
4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-, sodium salt (1:1)
Role
alias
Source
TCMBank
Preferred
No
Name
456-72-4
Role
alias
Source
TCMBank
Preferred
No
Name
6-Carboxy-2,4-dihydroxy-pyrimidine
Role
alias
Source
TCMBank
Preferred
No
Name
6-Carboxy-2,4-dihydroxypyrimidine monosodium salt
Role
alias
Source
TCMBank
Preferred
No
Name
6-Carboxyuracil
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Carboxyuracil
Role
alias
Source
itcmdb_public
Preferred
No
Name
65-86-1
Role
alias
Source
HERB_v2
Preferred
No
Name
65-86-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1Q1VUY
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q1W65
Role
alias
Source
TCMBank
Preferred
No
Name
ACM456724
Role
alias
Source
TCMBank
Preferred
No
Name
AK396116
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS024319298
Role
alias
Source
TCMBank
Preferred
No
Name
BG00908735
Role
alias
Source
TCMBank
Preferred
No
Name
C5H3N2NaO4
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 685
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:132101
Role
alias
Source
TCMBank
Preferred
No
Name
CTK4C8432
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID1021083
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 205-834-0
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0687996
Role
alias
Source
TCMBank
Preferred
No
Name
J-009152
Role
alias
Source
TCMBank
Preferred
No
Name
J-518481
Role
alias
Source
TCMBank
Preferred
No
Name
LS-7630
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-023-222-298
Role
alias
Source
TCMBank
Preferred
No
Name
Monosodium orolate
Role
alias
Source
TCMBank
Preferred
No
Name
Monosodium orotate
Role
alias
Source
TCMBank
Preferred
No
Name
OROTIC ACID, NA SALT
Role
alias
Source
TCMBank
Preferred
No
Name
Orodin
Role
alias
Source
HERB_v2
Preferred
No
Name
Orodin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oropur
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oropur
Role
alias
Source
HERB_v2
Preferred
No
Name
Orotic acid, monosodium salt
Role
alias
Source
TCMBank
Preferred
No
Name
Orotic acid, sodium salt
Role
alias
Source
TCMBank
Preferred
No
Name
Orotonin
Role
alias
Source
HERB_v2
Preferred
No
Name
Orotonin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Orotonsan
Role
alias
Source
HERB_v2
Preferred
No
Name
Orotonsan
Role
alias
Source
itcmdb_public
Preferred
No
Name
Orotyl
Role
alias
Source
HERB_v2
Preferred
No
Name
Orotyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
RP23926
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL193604
Role
alias
Source
TCMBank
Preferred
No
Name
Sodium 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
Role
alias
Source
TCMBank
Preferred
No
Name
Sodium orotate
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-1K54797G2Z
Role
alias
Source
TCMBank
Preferred
No
Name
Vitamin B13
Role
alias
Source
itcmdb_public
Preferred
No
Name
Vitamin B13
Role
alias
Source
HERB_v2
Preferred
No
Name
Whey factor
Role
alias
Source
itcmdb_public
Preferred
No
Name
Whey factor
Role
alias
Source
HERB_v2
Preferred
No
Name
X4064
Role
alias
Source
TCMBank
Preferred
No
Name
ZTHMWDSJKLNDTE-UHFFFAOYSA-M
Role
alias
Source
TCMBank
Preferred
No
Name
oroticacid
Role
alias
Source
TCMBank
Preferred
No
Name
sodium 2,6-dihydroxypyrimidine-4-carboxylate
Role
alias
Source
TCMBank
Preferred
No
Name
sodium 2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate
Role
alias
Source
TCMBank
Preferred
No
Name
sodium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
154-85-81K54797G2Z4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-, sodium salt (1:1)456-72-46-Carboxy-2,4-dihydroxy-pyrimidine6-Carboxy-2,4-dihydroxypyrimidine monosodium salt6-Carboxyuracil65-86-1AC1Q1VUYAC1Q1W65ACM456724AK396116AKOS024319298BG00908735C5H3N2NaO4CCRIS 685CHEBI:132101CTK4C8432DTXSID1021083EINECS 205-834-0FT-0687996J-009152J-518481LS-7630MolPort-023-222-298Monosodium orolateMonosodium orotateOROTIC ACID, NA SALTOrodinOropurOrotic acid, monosodium saltOrotic acid, sodium saltOrotoninOrotonsanOrotylRP23926SCHEMBL193604Sodium 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylateSodium orotateUNII-1K54797G2ZVitamin B13Whey factorX4064ZTHMWDSJKLNDTE-UHFFFAOYSA-Moroticacidsodium 2,6-dihydroxypyrimidine-4-carboxylatesodium 2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylatesodium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038297
Npass
NPC101162
Tcmid
1620325400
Sym Map
SMIT18853
Pub Chem
23683036967
Tcmbank
TCMBANKIN027164
Etcm Ingredient
Orotic acid
Itcmdb Generated
ITX-INGREDIENT-77F05BD87FED
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
Mol Wt
156.097
Smiles
C1=C(NC(=O)NC1=O)C(=O)[O-].[Na+]
Mol Log P
-1.2386
Version
v1,v2
In Ch Ikey
PXQPEWDEAKTCGB-UHFFFAOYSA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.473
Num Hacceptors
3
Isomeric Smiles
C1=C(NC(=O)NC1=O)C(=O)O
Canonical Smiles
C1=C(NC(=O)NC1=O)C(=O)O
Herb Alias Names
65-86-16-CarboxyuracilOropurOrodinOrotoninOrotylOrotonsanVitamin B13Whey factor
Molecular Weight
156.020
Molecular Weight
178.08 g/mol
Molecular Formula
C5H4N2O4
Molecular Formula
C5H3N2NaO4
Molecular Formula
C5H4N2O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.004
Quantitative Estimate Of Drug Likeness（Qed）
0.473