Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2470
- Core Entity Id
- 5932
- Source Entity Count
- 1
- Preferred Name
- 2-pyrol
- Name En
- Pubchem Id
- 12025
- Smiles Canonical
- C1CC(=O)NC1
- Molecular Formula
- C4H7NO
- Molecular Weight
- 85.1060
- Inchikey
- HNJBEVLQSNELDL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
- Isomeric Smiles
- C1CC(=O)NC1
- Cas Id
- 22580-55-8
- Ob Score
- 15.2676
- Mol Logp
- -0.1036
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Pyrol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-Pyrol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-Pyrol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-pyrol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-pyrol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
.alpha.-Pyrrolidinone
Role
alias
Source
TCMBank
Preferred
No
Name
.gamma.-Aminobutyrolactam
Role
alias
Source
TCMBank
Preferred
No
Name
2-Ketopyrrolidine
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Ketopyrrolidine
Role
alias
Source
TCMBank
Preferred
No
Name
2-Ketopyrrolidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Oxopyrrolidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Oxopyrrolidine
Role
alias
Source
TCMBank
Preferred
No
Name
2-Oxopyrrolidine
Role
alias
Source
HERB_v2
Preferred
No
Name
2-PYRROLIDONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-PYRROLIDONE
Role
alias
Source
HERB_v2
Preferred
No
Name
2-PYRROLIDONE MFC4 H7 N1 O1
Role
alias
Source
TCMBank
Preferred
No
Name
2-Pyrrolidinone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Pyrrolidinone
Role
alias
Source
TCMBank
Preferred
No
Name
2-Pyrrolidinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Pyrrolidone
Role
alias
Source
TCMBank
Preferred
No
Name
22580-55-8
Role
alias
Source
TCMBank
Preferred
No
Name
240338_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
4-Aminobutyric acid lactam
Role
alias
Source
TCMBank
Preferred
No
Name
616-45-5
Role
alias
Source
HERB_v2
Preferred
No
Name
616-45-5
Role
alias
Source
TCMBank
Preferred
No
Name
616-45-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
83300_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
Butanoic acid, 4-amino-, lactam
Role
alias
Source
TCMBank
Preferred
No
Name
Butyrolactam
Role
alias
Source
TCMBank
Preferred
No
Name
Butyrolactam
Role
alias
Source
HERB_v2
Preferred
No
Name
Butyrolactam
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:36592
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 210-483-1
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 245-100-7
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 2652
Role
alias
Source
TCMBank
Preferred
No
Name
Hydrogen tribromide, compound with pyrrolidin-2-one (1:3)
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_000687
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 4593
Role
alias
Source
TCMBank
Preferred
No
Name
NSC8413
Role
alias
Source
TCMBank
Preferred
No
Name
P74370_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
PYRROLIDINONE
Role
alias
Source
HERB_v2
Preferred
No
Name
PYRROLIDINONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyrrolidon
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrrolidon
Role
alias
Source
TCMBank
Preferred
No
Name
Pyrrolidon
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyrrolidon [German]
Role
alias
Source
TCMBank
Preferred
No
Name
Pyrrolidone
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrrolidone
Role
alias
Source
TCMBank
Preferred
No
Name
Pyrrolidone
Role
alias
Source
itcmdb_public
Preferred
No
Name
WLN: T5MVTJ
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC04759215
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-pyrrolidone
Role
alias
Source
TCMBank
Preferred
No
Name
gamma-Aminobutyric acid lactam
Role
alias
Source
TCMBank
Preferred
No
Name
gamma-Aminobutyric lactam
Role
alias
Source
TCMBank
Preferred
No
Name
gamma-butyrolactam
Role
alias
Source
TCMBank
Preferred
No
Name
pyrrolidin-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
pyrrolidin-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
pyrrolidin-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
.alpha.-Pyrrolidinone.gamma.-Aminobutyrolactam2-Ketopyrrolidine2-Oxopyrrolidine2-PYRROLIDONE2-PYRROLIDONE MFC4 H7 N1 O12-Pyrrolidinone22580-55-8240338_ALDRICH4-Aminobutyric acid lactam616-45-583300_FLUKAButanoic acid, 4-amino-, lactamButyrolactamCHEBI:36592EINECS 210-483-1EINECS 245-100-7HSDB 2652Hydrogen tribromide, compound with pyrrolidin-2-one (1:3)InChI=1/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6NCIOpen2_000687NSC 4593NSC8413P74370_ALDRICHPYRROLIDINONEPyrrolidonPyrrolidon [German]PyrrolidoneWLN: T5MVTJZINC04759215alpha-pyrrolidonegamma-Aminobutyric acid lactamgamma-Aminobutyric lactamgamma-butyrolactampyrrolidin-2-one
Cross References
Trusted external identifiers retained for this final record.
Cas
22580-55-8
Herb
HBIN006352HBIN006354
Npass
NPC145895
Tcmid
32563
Tcmsp
MOL007547
Sym Map
SMIT08958
Pub Chem
12025
Tcmbank
TCMBANKIN058578
Etcm Ingredient
2-Pyrol
Itcmdb Generated
ITX-INGREDIENT-EB65F413C8AC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
Mol Wt
85.106
Cas Id
22580-55-8
Smiles
C1CC(=O)NC1
Mol Log P
-0.1036000000000001
Version
v1,v2
In Ch Ikey
HNJBEVLQSNELDL-UHFFFAOYSA-N
Ob Score
15.2675728215.26757315.268
Suppress
0
Num Hdonors
1
Drug Likeness
0.437
Num Hacceptors
1
Isomeric Smiles
C1CC(=O)NC1
Molecule Weight
85.12
Canonical Smiles
C1CC(=O)NC1
Herb Alias Names
pyrrolidin-2-one2-Pyrrolidinone616-45-52-PYRROLIDONEPyrrolidoneButyrolactam2-OxopyrrolidinePyrrolidonPYRROLIDINONE2-Ketopyrrolidine
Molecular Weight
85.050
Molecular Weight
85.1 g/mol
Molecular Formula
C4H7NO
Molecular Formula
C4H7NO
Molecular Formula
C4H7NO
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.037
Quantitative Estimate Of Drug Likeness（Qed）
0.437