Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30360
- Core Entity Id
- 36932
- Source Entity Count
- 1
- Preferred Name
- Polygalitol
- Name En
- Pubchem Id
- 219984
- Smiles Canonical
- C1C(C(C(C(O1)CO)O)O)O
- Molecular Formula
- C6H12O5
- Molecular Weight
- 164.1570
- Inchikey
- MPCAJMNYNOGXPB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2
- Isomeric Smiles
- C1C(C(C(C(O1)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.5398
- Num H Donors
- 4
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.3430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Polygalitol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Polygalitol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Polygalitol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Polygalitol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Polygalitol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Polygalitol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
黄花远志
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUANG HUA YUAN ZHI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Yellowflower Milkwort
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,5-Anhydro-d-altritol
Role
alias
Source
HERB_v2
Preferred
No
Name
1,5-Anhydro-d-altritol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5-Anhydrohexitol
Role
alias
Source
HERB_v2
Preferred
No
Name
1,5-Anhydrohexitol #
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
472960-23-9
Role
alias
Source
HERB_v2
Preferred
No
Name
472960-23-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID80861838
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80861838
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glucitol,5-anhydro-
Role
alias
Source
HERB_v2
Preferred
No
Name
Glucitol,5-anhydro-
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00067386
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00067386
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC1974
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC1974
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL184169
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL184169
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aso
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
ASO
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3S,4R,5S)-2-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3S,4R,5S)-2-methyloltetrahydropyran-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
1,5-ANHYDROSORBITOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5-Anhydro-D-glucitol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5-Anhydro-D-sorbitol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5-Anhydroglucitol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Deoxy-D-glucopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Deoxy-D-glucose
Role
alias
Source
itcmdb_public
Preferred
No
Name
154-58-5
Role
alias
Source
TCMBank
Preferred
No
Name
Aceritol
Role
alias
Source
itcmdb_public
Preferred
No
Name
C07326
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:16070
Role
alias
Source
TCMBank
Preferred
No
Name
D-Glucitol, 1,5-anhydro-
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 205-829-3
Role
alias
Source
TCMBank
Preferred
No
Name
Glucitol, 1,5-anhydro-
Role
alias
Source
HERB_v2
Preferred
No
Name
Polygalytol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黄花远志HUANG HUA YUAN ZHIYellowflower Milkwort1,5-Anhydro-d-altritol1,5-Anhydrohexitol1,5-Anhydrohexitol #2-hydroxymethyl-tetrahydro-pyran-3,4,5-triol472960-23-9DTXSID80861838Glucitol,5-anhydro-MFCD00067386NSC1974SCHEMBL184169Aso(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol(2R,3S,4R,5S)-2-(hydroxymethyl)tetrahydropyran-3,4,5-triol(2R,3S,4R,5S)-2-methyloltetrahydropyran-3,4,5-triol1,5-ANHYDROSORBITOL1,5-Anhydro-D-glucitol1,5-Anhydro-D-sorbitol1,5-Anhydroglucitol1-Deoxy-D-glucopyranose1-Deoxy-D-glucose154-58-5AceritolC07326CHEBI:16070D-Glucitol, 1,5-anhydro-EINECS 205-829-3Glucitol, 1,5-anhydro-Polygalytol
Cross References
Trusted external identifiers retained for this final record.
Cas
154-58-5
Herb
HBIN040421HBIN001622HBIN017085
Npass
NPC146443NPC266553
Tcmid
17622
Tcmsp
MOL001742
Sym Map
SMIT26198SMIT04110
Tcm Id
9513
Pub Chem
21998464960
Tcmbank
TCMBANKIN041068TCMBANKIN058472
Etcm Ingredient
Polygalitol
Itcmdb Generated
ITX-INGREDIENT-19F54B531CD3ITX-INGREDIENT-66765FCBE4B5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2
Mol Wt
164.157
Smiles
C1C(C(C(C(O1)CO)O)O)O
Mol Log P
-2.5398
Version
v2
In Ch Ikey
MPCAJMNYNOGXPB-UHFFFAOYSA-N
Suppress
0
Tcm Name
黄花远志
Tcm Name2
HUANG HUA YUAN ZHI
Mol2 Path
/TCM_database/2007_3d_all/17636.mol2
Reference
2
Num Hdonors
4
Tcm Name En
Yellowflower Milkwort
Drug Likeness
0.343
Num Hacceptors
5
Isomeric Smiles
C1C(C(C(C(O1)CO)O)O)O
Molecule Weight
164.18
Canonical Smiles
C1C(C(C(C(O1)CO)O)O)O
Herb Alias Names
2-hydroxymethyl-tetrahydro-pyran-3,4,5-triolNSC1974MFCD000673861,5-AnhydrohexitolGlucitol,5-anhydro-472960-23-91,5-Anhydrohexitol #1,5-Anhydro-d-altritolSCHEMBL184169DTXSID80861838
Molecular Weight
164.070
Molecular Weight
164.16 g/mol
Molecular Formula
C6H12O5
Molecular Formula
C6H12O5
Molecular Formula
C6H12O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.004
Quantitative Estimate Of Drug Likeness（Qed）
0.343