Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12089
- Core Entity Id
- 16605
- Source Entity Count
- 1
- Preferred Name
- Bdf
- Name En
- Pubchem Id
- 24310
- Smiles Canonical
- C1C(C(C(C(O1)(CO)O)O)O)O
- Molecular Formula
- C6H12O6
- Molecular Weight
- 180.1560
- Inchikey
- LKDRXBCSQODPBY-ARQDHWQXSA-N
- Inchi
- InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
- Isomeric Smiles
- C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O
- Cas Id
- 7660-25-5
- Ob Score
- 58.4840
- Mol Logp
- -3.2198
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.2900
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Bdf
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
BDF
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Bdf
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Bdf
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Bdf
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3S,4R,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3S,4R,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol
Role
alias
Source
TCMBank
Preferred
No
Name
4-01-00-04402 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
7660-25-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
7660-25-5
Role
alias
Source
TCMBank
Preferred
No
Name
7660-25-5
Role
alias
Source
HERB_v2
Preferred
No
Name
BRN 1423189
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:41005
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:41005
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:41005
Role
alias
Source
TCMBank
Preferred
No
Name
Fructopyranose, beta-D-
Role
alias
Source
TCMBank
Preferred
No
Name
Fructose, pyranose form
Role
alias
Source
TCMBank
Preferred
No
Name
Frutabs
Role
alias
Source
HERB_v2
Preferred
No
Name
Frutabs
Role
alias
Source
TCMBank
Preferred
No
Name
Frutabs
Role
alias
Source
itcmdb_public
Preferred
No
Name
HSDB 526
Role
alias
Source
TCMBank
Preferred
No
Name
R73GS1TJE0
Role
alias
Source
HERB_v2
Preferred
No
Name
R73GS1TJE0
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC03861095
Role
alias
Source
TCMBank
Preferred
No
Name
beta-D-Fructopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-Fructopyranose
Role
alias
Source
TCMBank
Preferred
No
Name
beta-D-Fructopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
fructosteril
Role
alias
Source
HERB_v2
Preferred
No
Name
fructosteril
Role
alias
Source
itcmdb_public
Preferred
No
Name
laevoral
Role
alias
Source
HERB_v2
Preferred
No
Name
laevoral
Role
alias
Source
itcmdb_public
Preferred
No
Name
laevosan
Role
alias
Source
HERB_v2
Preferred
No
Name
laevosan
Role
alias
Source
itcmdb_public
Preferred
No
Name
levugen
Role
alias
Source
HERB_v2
Preferred
No
Name
levugen
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sorbose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
sorbose
Role
preferred
Source
TCMBank
Preferred
Yes
Name
L-Sor
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Sorbopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Sorbopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Sorbose
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Xylo-Hex-2-ulo-Pyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Xylo-Hexopyran-2-ulose
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sor
Role
alias
Source
HERB_v2
Preferred
No
Name
Sorbopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
Sorbopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol(2R,3S,4R,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol(2R,3S,4R,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol4-01-00-04402 (Beilstein Handbook Reference)7660-25-5BRN 1423189CHEBI:41005Fructopyranose, beta-D-Fructose, pyranose formFrutabsHSDB 526R73GS1TJE0ZINC03861095beta-D-FructopyranosefructosterillaevorallaevosanlevugenSorboseL-SorL-SorbopyranoseL-SorbopyranosideL-SorboseL-Xylo-Hex-2-ulo-PyranoseL-Xylo-Hexopyran-2-uloseSorSorbopyranoseSorbopyranoside
Cross References
Trusted external identifiers retained for this final record.
Cas
7660-25-5
Hit
C0601
Herb
HBIN017662HBIN044404
Npass
NPC490493
Tcmid
20088
Tcmsp
MOL007275
Sym Map
SMIT08743
Pub Chem
24310439192
Tcmbank
TCMBANKIN027150TCMBANKIN021779
Drug Bank
DB02561
Etcm Ingredient
Sorbose
Itcmdb Generated
ITX-INGREDIENT-D3940964AD13
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
Mol Wt
180.156
Cas Id
7660-25-5
Smiles
C1C(C(C(C(O1)(CO)O)O)O)O
Mol Log P
-3.219799999999999
Version
v1,v2
In Ch Ikey
LKDRXBCSQODPBY-ARQDHWQXSA-N
Ob Score
58.48458.4843947858.484395
Suppress
0
Num Hdonors
5
Drug Likeness
0.29
Num Hacceptors
6
Isomeric Smiles
C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O
Molecule Weight
180.18
Canonical Smiles
C1C(C(C(C(O1)(CO)O)O)O)O
Herb Alias Names
beta-D-Fructopyranose7660-25-5Frutabslaevorallaevosanfructosterillevugen(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrolR73GS1TJE0CHEBI:41005
Molecular Weight
180.060
Molecular Weight
180.16
Molecular Formula
C6H12O6
Molecular Formula
C6H12O6
Molecular Formula
C6H12O6
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.002
Quantitative Estimate Of Drug Likeness（Qed）
0.290