ITCMDBv1
IngredientID 12393

Beta-d-ribofuranoside,xanthine-9

C10H12N4O6

Back to Browse

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: 1Ingredient: 1Target: 7Links: 8
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
12393
Core Entity Id
16945
Source Entity Count
1
Preferred Name
Beta-d-ribofuranoside,xanthine-9
Name En
Pubchem Id
64959
Smiles Canonical
C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O
Molecular Formula
C10H12N4O6
Molecular Weight
284.2280
Inchikey
UBORTCNDUKBEOP-UUOKFMHZSA-N
Inchi
InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1
Isomeric Smiles
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O
Cas Id
5968-90-1
Ob Score
44.7188
Mol Logp
-2.9756
Num H Donors
5
Num H Acceptors
8
Num Rotatable Bonds
2
Drug Likeness
0.3940
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Beta-D-Ribofuranoside, Xanthine-9
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Beta-d-ribofuranoside,xanthine-9
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Beta-d-ribofuranoside,xanthine-9
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
beta-D-Ribofuranoside, xanthine-9
Role
preferred
Source
TCMBank
Preferred
Yes
Name
146-80-5
Role
alias
Source
HERB_v2
Preferred
No
Name
146-80-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H-Purine-2,6-dione, 3,9-dihydro-9-beta-D-ribofuranosyl-
Role
alias
Source
TCMBank
Preferred
No
Name
2,3-Dihydroxanthosine
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-Dihydroxanthosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
5968-90-1
Role
alias
Source
TCMBank
Preferred
No
Name
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purine-2,6-dione
Role
alias
Source
TCMBank
Preferred
No
Name
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
Role
alias
Source
TCMBank
Preferred
No
Name
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-2,6-dione
Role
alias
Source
TCMBank
Preferred
No
Name
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]xanthine
Role
alias
Source
TCMBank
Preferred
No
Name
9-beta-D-Ribofuranosylxanthine
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-beta-D-Ribofuranosylxanthine
Role
alias
Source
HERB_v2
Preferred
No
Name
9-beta-D-ribofuranosyl-3,9-dihydro-1H-purine-2,6-dione
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-52693
Role
alias
Source
TCMBank
Preferred
No
Name
BM66HT53C3
Role
alias
Source
HERB_v2
Preferred
No
Name
BM66HT53C3
Role
alias
Source
itcmdb_public
Preferred
No
Name
C01762
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:18107
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:18107
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:18107
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 205-679-9
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 18930
Role
alias
Source
TCMBank
Preferred
No
Name
SBB006470
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-BM66HT53C3
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-BM66HT53C3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Xanthine riboside
Role
alias
Source
HERB_v2
Preferred
No
Name
Xanthine riboside
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC01561970
Role
alias
Source
TCMBank
Preferred
No
Name
beta-D-Ribofuranoside, xanthine-9
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-Ribofuranoside, xanthine-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
xanthosine
Role
alias
Source
HERB_v2
Preferred
No
Name
xanthosine
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Beta-D-Ribofuranoside, Xanthine-9146-80-51H-Purine-2,6-dione, 3,9-dihydro-9-beta-D-ribofuranosyl-2,3-Dihydroxanthosine5968-90-19-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purine-2,6-dione9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-2,6-dione9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]xanthine9-beta-D-Ribofuranosylxanthine9-beta-D-ribofuranosyl-3,9-dihydro-1H-purine-2,6-dioneAI3-52693BM66HT53C3C01762CHEBI:18107EINECS 205-679-9NSC 18930SBB006470UNII-BM66HT53C3Xanthine ribosideZINC01561970xanthosine

Cross References

Trusted external identifiers retained for this final record.

Cas
5968-90-1
Herb
HBIN018084
Npass
NPC311197
Tcmsp
MOL006967
Sym Map
SMIT08498
Pub Chem
64959
Tcmbank
TCMBANKIN033474

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1
Mol Wt
284.228
Cas Id
5968-90-1
Smiles
C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O
Mol Log P
-2.9756
Version
v1,v2
In Ch Ikey
UBORTCNDUKBEOP-UUOKFMHZSA-N
Ob Score
44.71878544.7187854844.719
Suppress
0
Num Hdonors
5
Drug Likeness
0.394
Num Hacceptors
8
Isomeric Smiles
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O
Molecule Weight
284.26
Canonical Smiles
C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O
Herb Alias Names
xanthosine146-80-5Xanthine riboside9-beta-D-Ribofuranosylxanthinebeta-D-Ribofuranoside, xanthine-9UNII-BM66HT53C39 beta-D-ribofuranosylxanthineBM66HT53C3CHEBI:181072,3-Dihydroxanthosine
Molecular Weight
284.23 g/mol
Molecular Formula
C10H12N4O6
Molecular Formula
C10H12N4O6
Num Rotatable Bonds
2