Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 3Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38537
- Core Entity Id
- 65654
- Source Entity Count
- 1
- Preferred Name
- 1,4-dideoxy-1,4-imino-d-ribitol
- Name En
- Pubchem Id
- 446222
- Smiles Canonical
- C1=C2C(=CC(=C1Cl)Cl)N(C=N2)C3C(C(C(O3)CO)O)O
- Molecular Formula
- C5H11NO3
- Molecular Weight
- 133.1470
- Inchikey
- OQEBIHBLFRADNM-MROZADKFSA-N
- Inchi
- InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4+,5-/m1/s1
- Isomeric Smiles
- C1[C@@H]([C@@H]([C@H](N1)CO)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.3277
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.3240
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,4-dideoxy-1,4-imino-d-ribitol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,4-dideoxy-1,4-imino-d-ribitol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,4-dideoxy-1,4-imino-d-ribitol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2R,3R,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3R,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
105990-41-8
Role
alias
Source
HERB_v2
Preferred
No
Name
105990-41-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R-(2a,3b,4b))-
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R-(2a,3b,4b))-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL261634
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL261634
Role
alias
Source
itcmdb_public
Preferred
No
Name
DRB
Role
alias
Source
TCMBank
Preferred
No
Name
DRib
Role
alias
Source
HERB_v2
Preferred
No
Name
DRib
Role
alias
Source
itcmdb_public
Preferred
No
Name
IMINORIBITOL
Role
alias
Source
HERB_v2
Preferred
No
Name
IMINORIBITOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
rel-(2R,3R,4S)-2-(Hydroxymethyl)pyrrolidine-3,4-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
rel-(2R,3R,4S)-2-(Hydroxymethyl)pyrrolidine-3,4-diol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,3R,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol105990-41-82-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)-3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R-(2a,3b,4b))-CHEMBL261634DRBDRibIMINORIBITOLrel-(2R,3R,4S)-2-(Hydroxymethyl)pyrrolidine-3,4-diol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001423
Tcm Id
99569957
Pub Chem
4462225894
Tcmbank
TCMBANKIN007743
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4+,5-/m1/s1
Mol Wt
133.147
Smiles
C1=C2C(=CC(=C1Cl)Cl)N(C=N2)C3C(C(C(O3)CO)O)O
Mol Log P
-2.327699999999999
In Ch Ikey
OQEBIHBLFRADNM-MROZADKFSA-N
Num Hdonors
4
Drug Likeness
0.324
Num Hacceptors
4
Isomeric Smiles
C1[C@@H]([C@@H]([C@H](N1)CO)O)O
Canonical Smiles
C1C(C(C(N1)CO)O)O
Herb Alias Names
IMINORIBITOL105990-41-8DRib(2R,3R,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)-CHEMBL261634rel-(2R,3R,4S)-2-(Hydroxymethyl)pyrrolidine-3,4-diol3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R-(2a,3b,4b))-2-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL
Molecular Weight
319.14 g/mol
Molecular Formula
C12H12Cl2N2O4
Molecular Formula
C5H11NO3
Num Rotatable Bonds
1