ITCMDBv1
IngredientID 27812

Noj

C6H13NO4

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Relationship Network

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Herb: 7Ingredient: 1Reference: 2Target: 12Links: 21
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
27812
Core Entity Id
34096
Source Entity Count
1
Preferred Name
Noj
Name En
Pubchem Id
1374
Smiles Canonical
C1C(C(C(C(N1)CO)O)O)O
Molecular Formula
C6H13NO4
Molecular Weight
163.1730
Inchikey
LXBIFEVIBLOUGU-JGWLITMVSA-N
Inchi
InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
Isomeric Smiles
C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O
Cas Id
19130-96-2
Ob Score
44.0380
Mol Logp
-2.9668
Num H Donors
5
Num H Acceptors
5
Num Rotatable Bonds
1
Drug Likeness
0.2850
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
NOJ
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Noj
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Noj
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Noj
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R,4R,5S)-2-Hydroxymethyl-piperidine-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3R,4R,5S)-2-methylolpiperidine-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
1 Deoxynojirimycin
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5-Deoxy-1,5-imino-D-mannitol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5-Deoxy-1,5-imino-D-mannitol
Role
alias
Source
HERB_v2
Preferred
No
Name
1,5-Deoxy-1,5-imino-D-mannitol
Role
alias
Source
TCMBank
Preferred
No
Name
1,5-Dideoxy-1,5-imino-D-glucitol
Role
alias
Source
TCMBank
Preferred
No
Name
1-DEOXYNOJIRIMYCIN
Role
alias
Source
HERB_v2
Preferred
No
Name
1-DEOXYNOJIRIMYCIN
Role
alias
Source
TCMBank
Preferred
No
Name
1-Deoxymannojirimycin
Role
alias
Source
TCMBank
Preferred
No
Name
1-deoxynojirimicin
Role
alias
Source
TCMBank
Preferred
No
Name
19130-96-2
Role
alias
Source
HERB_v2
Preferred
No
Name
19130-96-2
Role
alias
Source
TCMBank
Preferred
No
Name
19130-96-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
2jke
Role
alias
Source
TCMBank
Preferred
No
Name
2pwd
Role
alias
Source
TCMBank
Preferred
No
Name
3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha,5beta))-
Role
alias
Source
TCMBank
Preferred
No
Name
3gbe
Role
alias
Source
TCMBank
Preferred
No
Name
3gxt
Role
alias
Source
TCMBank
Preferred
No
Name
3qfz
Role
alias
Source
TCMBank
Preferred
No
Name
4iid
Role
alias
Source
TCMBank
Preferred
No
Name
70956-02-4
Role
alias
Source
TCMBank
Preferred
No
Name
73285-50-4 (HCL)
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-000139
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_000993
Role
alias
Source
TCMBank
Preferred
No
Name
Bio1_000415
Role
alias
Source
TCMBank
Preferred
No
Name
Bio1_000904
Role
alias
Source
TCMBank
Preferred
No
Name
Bio1_001393
Role
alias
Source
TCMBank
Preferred
No
Name
D-1-deoxynojirimycin
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-1-deoxynojirimycin
Role
alias
Source
HERB_v2
Preferred
No
Name
DNJ
Role
alias
Source
TCMBank
Preferred
No
Name
DNM
Role
alias
Source
TCMBank
Preferred
No
Name
DUVOGLUSTAT
Role
alias
Source
itcmdb_public
Preferred
No
Name
DUVOGLUSTAT
Role
alias
Source
HERB_v2
Preferred
No
Name
Moranolin
Role
alias
Source
HERB_v2
Preferred
No
Name
Moranolin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Moranoline
Role
alias
Source
HERB_v2
Preferred
No
Name
Moranoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00025085-02
Role
alias
Source
TCMBank
Preferred
No
Name
SMP2_000333
Role
alias
Source
TCMBank
Preferred
No
Name
deoxynojirimycin
Role
alias
Source
HERB_v2
Preferred
No
Name
deoxynojirimycin
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol(2R,3R,4R,5S)-2-Hydroxymethyl-piperidine-3,4,5-triol(2R,3R,4R,5S)-2-methylolpiperidine-3,4,5-triol1 Deoxynojirimycin1,5-Deoxy-1,5-imino-D-mannitol1,5-Dideoxy-1,5-imino-D-glucitol1-DEOXYNOJIRIMYCIN1-Deoxymannojirimycin1-deoxynojirimicin19130-96-22jke2pwd3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha,5beta))-3gbe3gxt3qfz4iid70956-02-473285-50-4 (HCL)AIDS-000139BSPBio_000993Bio1_000415Bio1_000904Bio1_001393D-1-deoxynojirimycinDNJDNMDUVOGLUSTATMoranolinMoranolineNCGC00025085-02SMP2_000333deoxynojirimycin

Cross References

Trusted external identifiers retained for this final record.

Cas
19130-96-2
Hit
C0036
Herb
HBIN002486HBIN002487HBIN037207
Npass
NPC306462
Tcmid
38357383845197
Tcmsp
MOL004729
Sym Map
SMIT06589SMIT15002
Tcm Id
174479965996699679968
Pub Chem
137429435
Tcmbank
TCMBANKIN058470
Drug Bank
DB03206

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
Mol Wt
163.173
Cas Id
19130-96-2
Smiles
C1C(C(C(C(N1)CO)O)O)O
Mol Log P
-2.966799999999998
Version
v1,v2
In Ch Ikey
LXBIFEVIBLOUGU-JGWLITMVSA-N
Ob Score
44.03844.0382446744.038245
Suppress
0
Num Hdonors
5
Drug Likeness
0.285
Num Hacceptors
5
Isomeric Smiles
C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O
Molecule Weight
163.2
Canonical Smiles
C1C(C(C(C(N1)CO)O)O)O
Herb Alias Names
1-DEOXYNOJIRIMYCIN19130-96-2DUVOGLUSTATdeoxynojirimycinMoranoline(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triolMoranolin1 Deoxynojirimycin1,5-Deoxy-1,5-imino-D-mannitolD-1-deoxynojirimycin
Molecular Weight
163.17 g/mol
Molecular Formula
C6H13NO4
Molecular Formula
C6H13NO4
Num Rotatable Bonds
1