Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Target: 9Links: 18
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25932
- Core Entity Id
- 32016
- Source Entity Count
- 1
- Preferred Name
- Methose
- Name En
- Pubchem Id
- 5984
- Smiles Canonical
- C(C(C(C(C(=O)CO)O)O)O)O
- Molecular Formula
- C6H12O6
- Molecular Weight
- 180.1560
- Inchikey
- BJHIKXHVCXFQLS-UYFOZJQFSA-N
- Inchi
- InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1
- Isomeric Smiles
- C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O
- Cas Id
- 57-48-7
- Ob Score
- 1.6770
- Mol Logp
- -3.3772
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methose
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Methose
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Methose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Methose
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Methose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
30237-26-4
Role
alias
Source
HERB_v2
Preferred
No
Name
30237-26-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
57-48-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
57-48-7
Role
alias
Source
HERB_v2
Preferred
No
Name
D-(-)-Fructose
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-(-)-Fructose
Role
alias
Source
HERB_v2
Preferred
No
Name
D-(-)-Levulose
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Levulose
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-Fructose
Role
alias
Source
itcmdb_public
Preferred
No
Name
DL-Fructose
Role
alias
Source
HERB_v2
Preferred
No
Name
Nevulose
Role
alias
Source
HERB_v2
Preferred
No
Name
Nevulose
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one30237-26-457-48-7D-(-)-FructoseD-(-)-LevuloseD-LevuloseDL-FructoseNevulose
Cross References
Trusted external identifiers retained for this final record.
Cas
57-48-7
Hit
C0568
Herb
HBIN034833
Npass
NPC113101
Tcmid
33349
Tcmsp
MOL000053
Sym Map
SMIT02734
Pub Chem
5984
Etcm Ingredient
Methose
Itcmdb Generated
ITX-INGREDIENT-AB2613082D99
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1
Mol Wt
180.156
Cas Id
57-48-7
Mol Log P
-3.377199999999999
Version
v1,v2
In Ch Ikey
BJHIKXHVCXFQLS-UYFOZJQFSA-N
Ob Score
1.6771.677355048
Suppress
0
Num Hdonors
5
Drug Likeness
0.301
Num Hacceptors
6
Isomeric Smiles
C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O
Molecule Weight
180.18
Canonical Smiles
C(C(C(C(C(=O)CO)O)O)O)O
Herb Alias Names
D-(-)-Fructose57-48-7D(-)-Fructose(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-oneDL-FructoseNevulose30237-26-4D-LevuloseD-(-)-Levulose
Molecular Weight
180.060
Molecular Formula
C6H12O6
Molecular Formula
C6H12O6
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.006
Quantitative Estimate Of Drug Likeness（Qed）
0.301