IngredientID 31192

Succinimide

C4H5NO2

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Herb: 2Ingredient: 1Target: 3Links: 5
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
31192
Core Entity Id
37856
Source Entity Count
1
Preferred Name
Succinimide
Name En
Pubchem Id
11439
Smiles Canonical
C1CC(=O)NC1=O
Molecular Formula
C4H5NO2
Molecular Weight
99.0890
Inchikey
KZNICNPSHKQLFF-UHFFFAOYSA-N
Inchi
InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)
Isomeric Smiles
C1CC(=O)NC1=O
Cas Id
Ob Score
Mol Logp
-0.5770
Num H Donors
1
Num H Acceptors
2
Num Rotatable Bonds
0
Drug Likeness
0.4130
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Pyrrolidine-2,5-dione
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Pyrrolidine-2,5-dione
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pyrrolidine-2,5-dione
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Pyrrolidine-2,5-dione
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Succinimide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Succinimide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
succinimide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
人参芦
Role
TCM_name
Source
TCMBank
Preferred
No
Name
REN SHEN LU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ginseng Reed
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
123-56-8
Role
alias
Source
HERB_v2
Preferred
No
Name
123-56-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,5-Diketopyrrolidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,5-Diketopyrrolidine
Role
alias
Source
HERB_v2
Preferred
No
Name
2,5-Dioxopyrrolidine
Role
alias
Source
HERB_v2
Preferred
No
Name
2,5-Dioxopyrrolidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,5-Pyrrolidinedione
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,5-Pyrrolidinedione
Role
alias
Source
HERB_v2
Preferred
No
Name
Butanimide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Butanimide
Role
alias
Source
HERB_v2
Preferred
No
Name
SUCCINIMIDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
SUCCINIMIDE
Role
alias
Source
HERB_v2
Preferred
No
Name
Succinic acid imide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Succinic acid imide
Role
alias
Source
HERB_v2
Preferred
No
Name
Succinic imide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Succinic imide
Role
alias
Source
HERB_v2
Preferred
No
Name
Succinimide-sauba
Role
alias
Source
itcmdb_public
Preferred
No
Name
Succinimide-sauba
Role
alias
Source
HERB_v2
Preferred
No
Name
pyrrolidine-2,5-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
pyrrolidine-2,5-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
pyrrolidine-2,5-dione
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Pyrrolidine-2,5-dione人参芦REN SHEN LUGinseng Reed123-56-82,5-Diketopyrrolidine2,5-Dioxopyrrolidine2,5-PyrrolidinedioneButanimideSuccinic acid imideSuccinic imideSuccinimide-sauba

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN041419HBIN045064
Npass
NPC33721NPC96211
Tcmid
1826332527
Pub Chem
11439
Tcmbank
TCMBANKIN005120TCMBANKIN058579
Etcm Ingredient
Pyrrolidine-2,5-dione
Itcmdb Generated
ITX-INGREDIENT-48B4F6B4FA0EITX-INGREDIENT-6B6EF6E33875

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)
Mol Wt
99.08899999999998
Smiles
C1CC(=O)NC1=O
Mol Log P
-0.5770000000000002
In Ch Ikey
KZNICNPSHKQLFF-UHFFFAOYSA-N
Tcm Name
人参芦
Tcm Name2
REN SHEN LU
Mol2 Path
/TCM_database/2007_3d_all/18277.mol2
Reference
3587
Num Hdonors
1
Tcm Name En
Ginseng Reed
Drug Likeness
0.413
Num Hacceptors
2
Isomeric Smiles
C1CC(=O)NC1=O
Canonical Smiles
C1CC(=O)NC1=O
Herb Alias Names
SUCCINIMIDE123-56-82,5-PyrrolidinedioneButanimide2,5-DioxopyrrolidineSuccinic acid imide2,5-DiketopyrrolidineSuccinic imideSuccinimide-sauba
Molecular Weight
99.030
Molecular Weight
99.09 g/mol
Molecular Formula
C4H5NO2
Molecular Formula
C4H5NO2
Molecular Formula
C4H5NO2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.007
Quantitative Estimate Of Drug Likeness(Qed)
0.441