Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7050
- Core Entity Id
- 11017
- Source Entity Count
- 1
- Preferred Name
- 5-hydroxypyrrolidine-2-one
- Name En
- Pubchem Id
- 194148
- Smiles Canonical
- C1CC(=O)NC1O
- Molecular Formula
- C4H7NO2
- Molecular Weight
- 101.1050
- Inchikey
- WBGWUCXEMSSZJL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H7NO2/c6-3-1-2-4(7)5-3/h3,6H,1-2H2,(H,5,7)
- Isomeric Smiles
- C1CC(=O)NC1O
- Cas Id
- Ob Score
- Mol Logp
- -0.7852
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4200
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-Hydroxypyrrolidine-2-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-hydroxypyrrolidine-2-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5-hydroxypyrrolidine-2-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-Pyrrolidinone, 5-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Pyrrolidinone, 5-hydroxy-, (+/-)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-2-pyrrolidinone
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-2-pyrrolidinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-2-pyrrolidone
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-2-pyrrolidone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-pyrrolidin-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxypyrrolidin-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
62312-55-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
62312-55-4
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-5-Hydroxy-2-pyrrolidone
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-5-Hydroxy-2-pyrrolidone
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1270824
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1270824
Role
alias
Source
itcmdb_public
Preferred
No
Name
WBGWUCXEMSSZJL-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
WBGWUCXEMSSZJL-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Pyrrolidinone, 5-hydroxy-2-Pyrrolidinone, 5-hydroxy-, (+/-)-5-Hydroxy-2-pyrrolidinone5-Hydroxy-2-pyrrolidone5-hydroxy-pyrrolidin-2-one5-hydroxypyrrolidin-2-one62312-55-4DL-5-Hydroxy-2-pyrrolidoneSCHEMBL1270824WBGWUCXEMSSZJL-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011714
Npass
NPC166861
Tcmid
36944
Pub Chem
194148
Tcmbank
TCMBANKIN021109
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C4H7NO2/c6-3-1-2-4(7)5-3/h3,6H,1-2H2,(H,5,7)
Mol Wt
101.105
Smiles
C1CC(=O)NC1O
Mol Log P
-0.7852000000000003
In Ch Ikey
WBGWUCXEMSSZJL-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.42
Num Hacceptors
2
Isomeric Smiles
C1CC(=O)NC1O
Canonical Smiles
C1CC(=O)NC1O
Herb Alias Names
5-hydroxypyrrolidin-2-one62312-55-45-Hydroxy-2-pyrrolidinone5-Hydroxy-2-pyrrolidoneDL-5-Hydroxy-2-pyrrolidone2-Pyrrolidinone, 5-hydroxy-2-Pyrrolidinone, 5-hydroxy-, (+/-)-5-Hydroxy-2-pyrrolidinone(+/-)-5-Hydroxy-2-pyrrolidone5-Hydroxy-2-pyrrolidone5-Hydroxypyrrolidin-2-one5-hydroxy-pyrrolidin-2-oneSCHEMBL1270824WBGWUCXEMSSZJL-UHFFFAOYSA-N
Molecular Weight
101.1 g/mol
Molecular Formula
C4H7NO2
Molecular Formula
C4H7NO2
Num Rotatable Bonds
0