Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2037
- Core Entity Id
- 5453
- Source Entity Count
- 1
- Preferred Name
- 2-hydroxypropanenitrile
- Name En
- Pubchem Id
- 6572
- Smiles Canonical
- CC(C#N)O
- Molecular Formula
- C3H5NO
- Molecular Weight
- 71.0790
- Inchikey
- WOFDVDFSGLBFAC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3
- Isomeric Smiles
- CC(C#N)O
- Cas Id
- Ob Score
- Mol Logp
- -0.1092
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4050
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Hydroxypropanenitrile
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Hydroxypropanenitrile
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-hydroxypropanenitrile
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-hydroxypropanenitrile
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-hydroxypropanenitrile
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-Hydroxypropionitrile
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hydroxypropionitrile
Role
alias
Source
HERB_v2
Preferred
No
Name
2-hydroxy-propanenitrile
Role
alias
Source
TCMBank
Preferred
No
Name
78-97-7
Role
alias
Source
HERB_v2
Preferred
No
Name
78-97-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
Acetaldehyde, cyanohydrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Acetaldehyde, cyanohydrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Acetocyanohydrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Acetocyanohydrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
DL-Lactonitrile
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-Lactonitrile
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lactonitrile
Role
alias
Source
HERB_v2
Preferred
No
Name
Lactonitrile
Role
alias
Source
itcmdb_public
Preferred
No
Name
Laktonitril
Role
alias
Source
HERB_v2
Preferred
No
Name
Laktonitril
Role
alias
Source
itcmdb_public
Preferred
No
Name
Propanenitrile, 2-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Propanenitrile, 2-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Propionitrile, 2-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Propionitrile, 2-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Hydroxypropionitrile2-hydroxy-propanenitrile78-97-7Acetaldehyde, cyanohydrinAcetocyanohydrinDL-LactonitrileLactonitrileLaktonitrilPropanenitrile, 2-hydroxy-Propionitrile, 2-hydroxy-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005826
Npass
NPC272690
Tcmid
3348937526
Sym Map
SMIT20646
Pub Chem
6572
Tcmbank
TCMBANKIN019498
Itcmdb Generated
ITX-INGREDIENT-F5EA2A6F047A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3
Mol Wt
71.079
Smiles
CC(C#N)O
Mol Log P
-0.10922
Version
v2
In Ch Ikey
WOFDVDFSGLBFAC-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.405
Num Hacceptors
2
Isomeric Smiles
CC(C#N)O
Canonical Smiles
CC(C#N)O
Herb Alias Names
Lactonitrile2-Hydroxypropionitrile78-97-7Propanenitrile, 2-hydroxy-AcetocyanohydrinDL-LactonitrilePropionitrile, 2-hydroxy-LaktonitrilAcetaldehyde, cyanohydrin
Molecular Weight
71.08 g/mol
Molecular Formula
C3H5NO
Molecular Formula
C3H5NO
Num Rotatable Bonds
0