Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 13Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27699
- Core Entity Id
- 33971
- Source Entity Count
- 1
- Preferred Name
- N-methyl-1-deoxynojirimycin
- Name En
- Pubchem Id
- 4381
- Smiles Canonical
- CN1CC(C(C(C1CO)O)O)O
- Molecular Formula
- C7H15NO4
- Molecular Weight
- 177.2000
- Inchikey
- AAKDPDFZMNYDLR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3
- Isomeric Smiles
- CN1CC(C(C(C1CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.6246
- Num H Donors
- 4
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.3520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-Methyl-1-Deoxynojirimycin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
N-Methyl-1-Deoxynojirimycin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
N-Methyl-1-deoxynojirimycin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
N-methyl-1-deoxynojirimycin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
N-methyl-1-deoxynojirimycin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
n-methyl-1-deoxynojirimycin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2r,3r,4r,5s)-2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
(2r,3r,4r,5s)-2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
Role
alias
Source
SymMap_v2
Preferred
No
Name
1,5-Dideoxy-1,5-(methylimino)-D-glucitol, 9CI
Role
alias
Source
HERB_v2
Preferred
No
Name
1,5-Dideoxy-1,5-(methylimino)-D-glucitol, 9CI
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5-Dideoxy-1,5-imino-1-methyl-D-sorbitol
Role
alias
Source
SymMap_v2
Preferred
No
Name
1,5-Dideoxy-1,5-imino-1-methyl-D-sorbitol
Role
alias
Source
HERB_v2
Preferred
No
Name
1,5-Dideoxy-1,5-imino-1-methyl-D-sorbitol
Role
alias
Source
TCMBank
Preferred
No
Name
1,5-Dideoxy-1,5-imino-1-methyl-D-sorbitol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R,5S)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R,5S)-
Role
alias
Source
TCMBank
Preferred
No
Name
3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-methyl-, [2R-(2a,3b,4a,5b)]-
Role
alias
Source
SymMap_v2
Preferred
No
Name
3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-methyl-, [2R-(2a,3b,4a,5b)]-
Role
alias
Source
TCMBank
Preferred
No
Name
69567-10-8
Role
alias
Source
SymMap_v2
Preferred
No
Name
69567-10-8
Role
alias
Source
TCMBank
Preferred
No
Name
8297AE
Role
alias
Source
SymMap_v2
Preferred
No
Name
8297AE
Role
alias
Source
TCMBank
Preferred
No
Name
AAKDPDFZMNYDLR-XZBKPIIZSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
AAKDPDFZMNYDLR-XZBKPIIZSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L3O04
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1L3O04
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q59R9
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1Q59R9
Role
alias
Source
TCMBank
Preferred
No
Name
AK323267
Role
alias
Source
SymMap_v2
Preferred
No
Name
AK323267
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS006237428
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS006237428
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM18353
Role
alias
Source
SymMap_v2
Preferred
No
Name
BDBM18353
Role
alias
Source
TCMBank
Preferred
No
Name
BG01504651
Role
alias
Source
SymMap_v2
Preferred
No
Name
BG01504651
Role
alias
Source
TCMBank
Preferred
No
Name
BICL4350
Role
alias
Source
TCMBank
Preferred
No
Name
BICL4350
Role
alias
Source
SymMap_v2
Preferred
No
Name
C7H15NO4
Role
alias
Source
TCMBank
Preferred
No
Name
C7H15NO4
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:166564
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:166564
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL418746
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL418746
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL75971
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEMBL75971
Role
alias
Source
TCMBank
Preferred
No
Name
CS-7124
Role
alias
Source
TCMBank
Preferred
No
Name
CS-7124
Role
alias
Source
SymMap_v2
Preferred
No
Name
D-Glucitol, 1,5-dideoxy-1,5-(methylimino)-
Role
alias
Source
TCMBank
Preferred
No
Name
D-Glucitol, 1,5-dideoxy-1,5-(methylimino)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
FCH919819
Role
alias
Source
TCMBank
Preferred
No
Name
FCH919819
Role
alias
Source
SymMap_v2
Preferred
No
Name
HY-U00090
Role
alias
Source
TCMBank
Preferred
No
Name
HY-U00090
Role
alias
Source
SymMap_v2
Preferred
No
Name
LS-176762
Role
alias
Source
SymMap_v2
Preferred
No
Name
LS-176762
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00133609
Role
alias
Source
SymMap_v2
Preferred
No
Name
MFCD00133609
Role
alias
Source
TCMBank
Preferred
No
Name
MeDNJ
Role
alias
Source
SymMap_v2
Preferred
No
Name
MeDNJ
Role
alias
Source
itcmdb_public
Preferred
No
Name
MeDNJ
Role
alias
Source
HERB_v2
Preferred
No
Name
MeDNJ
Role
alias
Source
TCMBank
Preferred
No
Name
Mor-14
Role
alias
Source
SymMap_v2
Preferred
No
Name
Mor-14
Role
alias
Source
TCMBank
Preferred
No
Name
N-METHYLDEOXYNOJIRIMYCIN
Role
alias
Source
SymMap_v2
Preferred
No
Name
N-METHYLDEOXYNOJIRIMYCIN
Role
alias
Source
TCMBank
Preferred
No
Name
N-Methyl-1-deoxynojirimycin
Role
alias
Source
SymMap_v2
Preferred
No
Name
N-Methyl-1-deoxynojirimycin
Role
alias
Source
TCMBank
Preferred
No
Name
N-Methyl-1-deoxynojirimycin, >=98%
Role
alias
Source
TCMBank
Preferred
No
Name
N-Methyl-1-deoxynojirimycin, >=98%
Role
alias
Source
SymMap_v2
Preferred
No
Name
N-Methyl-DNJ
Role
alias
Source
SymMap_v2
Preferred
No
Name
N-Methyl-DNJ
Role
alias
Source
TCMBank
Preferred
No
Name
N-Methyl-DNJ
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Methyl-DNJ
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Methyldesoxynojirimycin
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Methyldesoxynojirimycin
Role
alias
Source
SymMap_v2
Preferred
No
Name
N-Methyldesoxynojirimycin
Role
alias
Source
TCMBank
Preferred
No
Name
N-Methyldesoxynojirimycin
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Methylmoranolin
Role
alias
Source
TCMBank
Preferred
No
Name
N-Methylmoranolin
Role
alias
Source
SymMap_v2
Preferred
No
Name
N-Methylmoranoline
Role
alias
Source
TCMBank
Preferred
No
Name
N-Methylmoranoline
Role
alias
Source
SymMap_v2
Preferred
No
Name
N-Methylmoranoline3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-methyl-, [2R-(2a,3b,4a,5b)]-
Role
alias
Source
TCMBank
Preferred
No
Name
N-Methylmoranoline3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-methyl-, [2R-(2a,3b,4a,5b)]-
Role
alias
Source
SymMap_v2
Preferred
No
Name
NMDNJ
Role
alias
Source
SymMap_v2
Preferred
No
Name
NMDNJ
Role
alias
Source
TCMBank
Preferred
No
Name
NMDNJ
Role
alias
Source
itcmdb_public
Preferred
No
Name
NMDNJ
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL2435206
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL2435206
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-YZS8607G9Z
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-YZS8607G9Z
Role
alias
Source
SymMap_v2
Preferred
No
Name
W-203549
Role
alias
Source
TCMBank
Preferred
No
Name
W-203549
Role
alias
Source
SymMap_v2
Preferred
No
Name
YZS8607G9Z
Role
alias
Source
SymMap_v2
Preferred
No
Name
YZS8607G9Z
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC3795332
Role
alias
Source
SymMap_v2
Preferred
No
Name
ZINC3795332
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2r,3r,4r,5s)-2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol1,5-Dideoxy-1,5-(methylimino)-D-glucitol, 9CI1,5-Dideoxy-1,5-imino-1-methyl-D-sorbitol2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R,5S)-3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-methyl-, [2R-(2a,3b,4a,5b)]-69567-10-88297AEAAKDPDFZMNYDLR-XZBKPIIZSA-NAC1L3O04AC1Q59R9AK323267AKOS006237428BDBM18353BG01504651BICL4350C7H15NO4CHEBI:166564CHEMBL418746CHEMBL75971CS-7124D-Glucitol, 1,5-dideoxy-1,5-(methylimino)-FCH919819HY-U00090LS-176762MFCD00133609MeDNJMor-14N-METHYLDEOXYNOJIRIMYCINN-Methyl-1-deoxynojirimycin, >=98%N-Methyl-DNJN-MethyldesoxynojirimycinN-MethylmoranolinN-MethylmoranolineN-Methylmoranoline3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-methyl-, [2R-(2a,3b,4a,5b)]-NMDNJSCHEMBL2435206UNII-YZS8607G9ZW-203549YZS8607G9ZZINC3795332
Cross References
Trusted external identifiers retained for this final record.
Hit
C0628
Herb
HBIN037058
Npass
NPC170172
Tcmid
14283
Sym Map
SMIT16583
Pub Chem
438192381
Tcmbank
TCMBANKIN047954
Etcm Ingredient
N-Methyl-1-deoxynojirimycin
Itcmdb Generated
ITX-INGREDIENT-C0FFDCC6AC37
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3
Mol Wt
177.2
Smiles
CN1CC(C(C(C1CO)O)O)O
Mol Log P
-2.624599999999999
Version
v1,v2
In Ch Ikey
AAKDPDFZMNYDLR-UHFFFAOYSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/14290.mol2
Reference
2170
Num Hdonors
4
Drug Likeness
0.352
Num Hacceptors
5
Isomeric Smiles
CN1CC(C(C(C1CO)O)O)O
Canonical Smiles
CN1CC(C(C(C1CO)O)O)O
Herb Alias Names
2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triolCHEMBL418746MeDNJN-Methyl-DNJNMDNJN-Methyldesoxynojirimycin1,5-Dideoxy-1,5-imino-1-methyl-D-sorbitolCHEBI:1665641,5-Dideoxy-1,5-(methylimino)-D-glucitol, 9CI
Molecular Weight
177.100
Molecular Weight
177.2 g/mol
Molecular Formula
C7H15NO4
Molecular Formula
C7H15NO4
Molecular Formula
C7H15NO4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.352