IngredientID 17669

Dur

C9H12N2O5

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: 3Ingredient: 1Target: 9Links: 14

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 17669
Core Entity Id: 22810
Source Entity Count: 1
Preferred Name: Dur
Name En
Pubchem Id: 13712
Smiles Canonical: C1C(C(OC1N2C=CC(=O)NC2=O)CO)O
Molecular Formula: C9H12N2O5
Molecular Weight: 228.2040
Inchikey: MXHRCPNRJAMMIM-SHYZEUOFSA-N
Inchi: InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1
Isomeric Smiles: C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O
Cas Id: 20649-53-0
Ob Score: 23.6850
Mol Logp: -1.8227
Num H Donors: 3
Num H Acceptors: 6
Num Rotatable Bonds: 2
Drug Likeness: 0.5520
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

DUR

Role

preferred

Source

TCMBank

Preferred

Yes

Name

DUR

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Dur

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Dur

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Dur

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione

Role

alias

Source

itcmdb_public

Preferred

Name

1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione

Role

alias

Source

HERB_v2

Preferred

Name

1-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1-H-pyrimidine-2,4-dione

Role

alias

Source

TCMBank

Preferred

Name

1-(2-Deoxy-beta-D-erythro-pentofuranoxyl)uracil

Role

alias

Source

TCMBank

Preferred

Name

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione

Role

alias

Source

TCMBank

Preferred

Name

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Role

alias

Source

TCMBank

Preferred

Name

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione

Role

alias

Source

TCMBank

Preferred

Name

1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone

Role

alias

Source

TCMBank

Preferred

Name

2'-DEOXYURIDINE

Role

alias

Source

HERB_v2

Preferred

Name

2'-Deoxyuridine

Role

alias

Source

TCMBank

Preferred

Name

2'-Desoxyuridine

Role

alias

Source

HERB_v2

Preferred

Name

2'-Desoxyuridine

Role

alias

Source

itcmdb_public

Preferred

Name

2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-erythro-ribofuranosyl)-

Role

alias

Source

TCMBank

Preferred

Name

2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-ribofuranosyl)-

Role

alias

Source

TCMBank

Preferred

Name

2-Deoxyuridine

Role

alias

Source

itcmdb_public

Preferred

Name

20649-53-0

Role

alias

Source

TCMBank

Preferred

Name

4-24-00-01200 (Beilstein Handbook Reference)

Role

alias

Source

TCMBank

Preferred

Name

951-78-0

Role

alias

Source

itcmdb_public

Preferred

Name

951-78-0

Role

alias

Source

HERB_v2

Preferred

Name

AIDS113822

Role

alias

Source

TCMBank

Preferred

Name

BRN 0024433

Role

alias

Source

TCMBank

Preferred

Name

C00526

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 2832

Role

alias

Source

TCMBank

Preferred

Name

D5412_SIGMA

Role

alias

Source

TCMBank

Preferred

Name

Deoxyribose uracil

Role

alias

Source

HERB_v2

Preferred

Name

Deoxyribose uracil

Role

alias

Source

itcmdb_public

Preferred

Name

Desoxyuridine

Role

alias

Source

itcmdb_public

Preferred

Name

Desoxyuridine

Role

alias

Source

HERB_v2

Preferred

Name

EINECS 213-455-7

Role

alias

Source

TCMBank

Preferred

Name

MLS001066344

Role

alias

Source

TCMBank

Preferred

Name

NCGC00142492-01

Role

alias

Source

TCMBank

Preferred

Name

NSC 23615

Role

alias

Source

TCMBank

Preferred

Name

SMR000112296

Role

alias

Source

TCMBank

Preferred

Name

ST057093

Role

alias

Source

TCMBank

Preferred

Name

Uracil deoxyriboside

Role

alias

Source

HERB_v2

Preferred

Name

Uracil deoxyriboside

Role

alias

Source

itcmdb_public

Preferred

Name

Uridine, 2'-deoxy-

Role

alias

Source

HERB_v2

Preferred

Name

Uridine, 2'-deoxy-

Role

alias

Source

itcmdb_public

Preferred

Name

ZINC00155696

Role

alias

Source

TCMBank

Preferred

Name

dURD

Role

alias

Source

TCMBank

Preferred

Name

deoxyuridine

Role

alias

Source

HERB_v2

Preferred

Name

deoxyuridine

Role

alias

Source

TCMBank

Preferred

Name

deoxyuridine

Role

alias

Source

itcmdb_public

Preferred

Aliases

Additional names normalized into the restored final schema.

1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione1-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1-H-pyrimidine-2,4-dione1-(2-Deoxy-beta-D-erythro-pentofuranoxyl)uracil1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone2'-DEOXYURIDINE2'-Desoxyuridine2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-erythro-ribofuranosyl)-2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-ribofuranosyl)-2-Deoxyuridine20649-53-04-24-00-01200 (Beilstein Handbook Reference)951-78-0AIDS113822BRN 0024433C00526CCRIS 2832D5412_SIGMADeoxyribose uracilDesoxyuridineEINECS 213-455-7MLS001066344NCGC00142492-01NSC 23615SMR000112296ST057093Uracil deoxyribosideUridine, 2'-deoxy-ZINC00155696dURDdeoxyuridine

Cross References

Trusted external identifiers retained for this final record.

Cas

20649-53-0

Herb

HBIN023401HBIN024565

Npass

NPC106780

Tcmid

32625

Tcmsp

MOL006938

Sym Map

SMIT08475

Pub Chem

13712

Tcmbank

TCMBANKIN058500

Etcm Ingredient

DUR

Itcmdb Generated

ITX-INGREDIENT-9E0C094D4846

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1

Mol Wt

228.204

Cas Id

20649-53-0

Smiles

C1C(C(OC1N2C=CC(=O)NC2=O)CO)O

Mol Log P

-1.8227

Version

v1,v2

In Ch Ikey

MXHRCPNRJAMMIM-SHYZEUOFSA-N

Ob Score

23.68523.6853605423.685361

Suppress

Num Hdonors

Drug Likeness

0.552

Num Hacceptors

Isomeric Smiles

C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O

Molecule Weight

228.23

Canonical Smiles

C1C(C(OC1N2C=CC(=O)NC2=O)CO)O

Herb Alias Names

2'-DEOXYURIDINE951-78-0deoxyuridineUracil deoxyriboside2-Deoxyuridine1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dioneUridine, 2'-deoxy-Deoxyribose uracil2'-DesoxyuridineDesoxyuridine

Molecular Weight

228.070

Molecular Weight

228.2 g/mol

Molecular Formula

C9H12N2O5

Molecular Formula

C9H12N2O5

Molecular Formula

C9H12N2O5

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.034

Quantitative Estimate Of Drug Likeness（Qed）

0.552