Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27734
- Core Entity Id
- 34009
- Source Entity Count
- 1
- Preferred Name
- N-methyl-l-deoxynojirimycin
- Name En
- Pubchem Id
- 122618
- Smiles Canonical
- CC1C(C(C(CN1)O)O)O
- Molecular Formula
- C6H13NO3
- Molecular Weight
- 147.1740
- Inchikey
- VYOCYWDJTQRZLC-KCDKBNATSA-N
- Inchi
- InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1
- Isomeric Smiles
- C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.9392
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3220
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-Methyl-L-Deoxynojirimycin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
N-Methyl-L-Deoxynojirimycin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
N-methyl-l-deoxynojirimycin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
N-methyl-l-deoxynojirimycin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
N-methyl-l-deoxynojirimycin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2,6-Trideoxy-2,6-imino-D-galactitol
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2,6-Trideoxy-2,6-imino-D-galactitol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5-Dideoxy-1,5-iminofucitol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5-Dideoxy-1,5-iminofucitol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Deoxyfuconojirimycin
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Deoxyfuconojirimycin
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methylpiperidine-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methylpiperidine-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
99212-30-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
99212-30-3
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL314772
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL314772
Role
alias
Source
itcmdb_public
Preferred
No
Name
Deoxyfuco-nojirimycin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Deoxyfuconojirimycin
Role
alias
Source
HERB_v2
Preferred
No
Name
L-fuco-Deoxynojirimycin
Role
alias
Source
HERB_v2
Preferred
No
Name
L-fuco-Deoxynojirimycin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol1,2,6-Trideoxy-2,6-imino-D-galactitol1,5-Dideoxy-1,5-iminofucitol1-Deoxyfuconojirimycin2-methylpiperidine-3,4,5-triol99212-30-3CHEMBL314772Deoxyfuco-nojirimycinDeoxyfuconojirimycinL-fuco-Deoxynojirimycin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037101
Npass
NPC204709
Tcmid
38445
Sym Map
SMIT25623
Pub Chem
122618
Tcmbank
TCMBANKIN025630
Itcmdb Generated
ITX-INGREDIENT-E7C10D90B243
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1
Mol Wt
147.174
Smiles
CC1C(C(C(CN1)O)O)O
Mol Log P
-1.9392
Version
v2
In Ch Ikey
VYOCYWDJTQRZLC-KCDKBNATSA-N
Suppress
0
Num Hdonors
4
Drug Likeness
0.322
Num Hacceptors
4
Isomeric Smiles
C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O
Canonical Smiles
CC1C(C(C(CN1)O)O)O
Herb Alias Names
Deoxyfuconojirimycin99212-30-3(2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol1,2,6-Trideoxy-2,6-imino-D-galactitol1,5-Dideoxy-1,5-iminofucitolCHEMBL3147721-Deoxyfuconojirimycin2-methylpiperidine-3,4,5-triolDeoxyfuco-nojirimycinL-fuco-Deoxynojirimycin
Molecular Formula
C6H13NO3
Molecular Formula
C6H13NO3
Num Rotatable Bonds
0