Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 12Links: 19
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21461
- Core Entity Id
- 27040
- Source Entity Count
- 1
- Preferred Name
- Hexose
- Name En
- Pubchem Id
- 206
- Smiles Canonical
- C(C1C(C(C(C(O1)O)O)O)O)O
- Molecular Formula
- C6H12O6
- Molecular Weight
- 180.1560
- Inchikey
- WQZGKKKJIJFFOK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
- Isomeric Smiles
- C(C1C(C(C(C(O1)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -3.2214
- 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
Hexose
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Hexose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hexose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hexose
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
42752-07-8
Role
alias
Source
HERB_v2
Preferred
No
Name
42752-07-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Role
alias
Source
HERB_v2
Preferred
No
Name
D-(+)-Mannose
Role
alias
Source
HERB_v2
Preferred
No
Name
D-(+)-Mannose
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Mannose-1-C-d
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Mannose-1-C-d
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Mannose-6-13C
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Mannose-6-13C
Role
alias
Source
HERB_v2
Preferred
No
Name
D-[1-18O]glucose
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-[1-18O]glucose
Role
alias
Source
HERB_v2
Preferred
No
Name
D-[4,6-13C2]glucose
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-[4,6-13C2]glucose
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
hexopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
hexopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
42752-07-86-(hydroxymethyl)oxane-2,3,4,5-tetrolD-(+)-MannoseD-Mannose-1-C-dD-Mannose-6-13CD-[1-18O]glucoseD-[4,6-13C2]glucoseHexopyranosehexopyranoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029342
Npass
NPC295644
Tcmid
32832
Sym Map
SMIT24424
Pub Chem
206
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients,Other ingredients
In Ch I
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
Mol Wt
180.156
Mol Log P
-3.221399999999999
Version
v2
In Ch Ikey
WQZGKKKJIJFFOK-UHFFFAOYSA-N
Suppress
0
Num Hdonors
5
Drug Likeness
0.29
Num Hacceptors
6
Isomeric Smiles
C(C1C(C(C(C(O1)O)O)O)O)O
Canonical Smiles
C(C1C(C(C(C(O1)O)O)O)O)O
Herb Alias Names
Hexopyranosehexopyranoside6-(hydroxymethyl)oxane-2,3,4,5-tetrolD-[4,6-13C2]glucose42752-07-8D-(+)-MannoseD-[1-18O]glucoseD-Mannose-6-13CD-Mannose-1-C-d
Molecule Formula
C6H12O6
Molecular Formula
C6H12O6
Num Rotatable Bonds
1