Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Experiment: 1Herb: 12Ingredient: 1Meta-analysis: 10Reference: 1Target: 12Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20420
- Core Entity Id
- 25877
- Source Entity Count
- 1
- Preferred Name
- Glucosamine
- Name En
- Pubchem Id
- 439213
- Smiles Canonical
- C(C1C(C(C(C(O1)O)N)O)O)O
- Molecular Formula
- C6H13NO5
- Molecular Weight
- 179.1720
- Inchikey
- MSWZFWKMSRAUBD-IVMDWMLBSA-N
- Inchi
- InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1
- Isomeric Smiles
- C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -3.2550
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.2880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glucosamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glucosamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Glucosamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Glucosamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
野菊
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YE JU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Indian Wild Chrysanthemum
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-Amino-2-Deoxy-D-Glucopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Amino-2-Deoxy-D-Glucopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Amino-2-Deoxy-D-Glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Amino-2-Deoxy-D-Glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Amino-2-Deoxy-D-Glucose
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Amino-2-Deoxy-D-Glucose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Amino-2-Deoxy-Glucopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Amino-2-Deoxy-Glucopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Amino-2-Deoxy-Glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Amino-2-Deoxy-Glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Amino-2-Deoxy-Glucose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Amino-2-Deoxy-Glucose
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Deoxy-2-Amino-D-Glucopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Deoxy-2-Amino-D-Glucopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Deoxy-2-Amino-D-Glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Deoxy-2-Amino-D-Glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Deoxy-2-Amino-D-Glucose
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Deoxy-2-Amino-D-Glucose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Deoxy-2-Amino-Glucopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Deoxy-2-Amino-Glucopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
野菊YE JUIndian Wild Chrysanthemum2-Amino-2-Deoxy-D-Glucopyranose2-Amino-2-Deoxy-D-Glucopyranoside2-Amino-2-Deoxy-D-Glucose2-Amino-2-Deoxy-Glucopyranose2-Amino-2-Deoxy-Glucopyranoside2-Amino-2-Deoxy-Glucose2-Deoxy-2-Amino-D-Glucopyranose2-Deoxy-2-Amino-D-Glucopyranoside2-Deoxy-2-Amino-D-Glucose2-Deoxy-2-Amino-Glucopyranose
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028036
Npass
NPC322801
Tcmid
8752
Sym Map
SMIT24154
Pub Chem
439213
Tcmbank
TCMBANKIN037791
Itcmdb Generated
ITX-INGREDIENT-522AE932BA70
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1
Mol Wt
179.172
Mol Log P
-3.254999999999998
Version
v2
In Ch Ikey
MSWZFWKMSRAUBD-IVMDWMLBSA-N
Suppress
0
Tcm Name
野菊
Tcm Name2
YE JU
Mol2 Path
/TCM_database/2007_3d_all/08753.mol2
Reference
2, 658, 660
Num Hdonors
5
Tcm Name En
Indian Wild Chrysanthemum
Drug Likeness
0.288
Num Hacceptors
6
Isomeric Smiles
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O
Canonical Smiles
C(C1C(C(C(C(O1)O)N)O)O)O
Herb Alias Names
2-Amino-2-Deoxy-D-Glucopyranose2-Amino-2-Deoxy-D-Glucopyranoside2-Amino-2-Deoxy-D-Glucose2-Amino-2-Deoxy-Glucopyranose2-Amino-2-Deoxy-Glucopyranoside2-Amino-2-Deoxy-Glucose2-Deoxy-2-Amino-D-Glucopyranose2-Deoxy-2-Amino-D-Glucopyranoside2-Deoxy-2-Amino-D-Glucose2-Deoxy-2-Amino-Glucopyranose
Molecular Weight
179.17 g/mol
Molecular Formula
C6H13NO5
Num Rotatable Bonds
1