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
- 18758
- Core Entity Id
- 24028
- Source Entity Count
- 1
- Preferred Name
- Ethyl pyroglutamate
- Name En
- Pubchem Id
- 2724446
- Smiles Canonical
- CCOC(=O)C1CCC(=O)N1
- Molecular Formula
- C7H11NO3
- Molecular Weight
- 157.1690
- Inchikey
- QYJOOVQLTTVTJY-YFKPBYRVSA-N
- Inchi
- InChI=1S/C7H11NO3/c1-2-11-7(10)5-3-4-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
- Isomeric Smiles
- CCOC(=O)[C@@H]1CCC(=O)N1
- Cas Id
- Ob Score
- Mol Logp
- -0.1719
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ethyl L-Pyroglutamate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ethyl L-Pyroglutamate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ethyl Pyroglutamate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ethyl l-pyroglutamate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ethyl l-pyroglutamate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ethyl pyroglutamate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ethyl pyroglutamate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ethyl pyroglutamate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ethyl pyroglutamate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
ethyl L-pyroglutamate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
三七
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SAN QI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sanchi
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(S)-(+)-5-Ethylcarboxyl-2-pyrrolidinone
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-(+)-5-Ethylcarboxyl-2-pyrrolidinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-ethyl 5-oxopyrrolidine-2-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-ethyl 5-oxopyrrolidine-2-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
7149-65-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
7149-65-7
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl (S)-(+)-2-pyrrolidone-5-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl (S)-(+)-2-pyrrolidone-5-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl 5-oxo-L-prolinate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl 5-oxo-L-prolinate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl L-pyroglutamate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl L-pyroglutamate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl pidolate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl pidolate
Role
alias
Source
itcmdb_public
Preferred
No
Name
H-Pyr-OEt
Role
alias
Source
itcmdb_public
Preferred
No
Name
H-Pyr-OEt
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Pyroglutamic acid ethyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Pyroglutamic acid ethyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
ethyl (2S)-5-oxopyrrolidine-2-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
ethyl (2S)-5-oxopyrrolidine-2-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Ethyl L-Pyroglutamate三七SAN QISanchi(S)-(+)-5-Ethylcarboxyl-2-pyrrolidinone(S)-ethyl 5-oxopyrrolidine-2-carboxylate7149-65-7Ethyl (S)-(+)-2-pyrrolidone-5-carboxylateEthyl 5-oxo-L-prolinateEthyl pidolateH-Pyr-OEtL-Pyroglutamic acid ethyl esterethyl (2S)-5-oxopyrrolidine-2-carboxylate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025946HBIN025982
Npass
NPC201354NPC229804
Tcmid
384107475
Sym Map
SMIT15343SMIT23864
Pub Chem
2724446
Tcmbank
TCMBANKIN001041TCMBANKIN034706TCMBANKIN061261
Etcm Ingredient
Ethyl pyroglutamate
Itcmdb Generated
ITX-INGREDIENT-20ABDAC7CB15ITX-INGREDIENT-A85025F603F8ITX-INGREDIENT-C600999ED59AITX-INGREDIENT-DAFC782D7B46
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C7H11NO3/c1-2-11-7(10)5-3-4-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
Mol Wt
157.169
Smiles
CCOC(=O)C1CCC(=O)N1
Mol Log P
-0.1719000000000001
Version
v1,v2v2
In Ch Ikey
QYJOOVQLTTVTJY-YFKPBYRVSA-N
Suppress
0
Tcm Name
三七
Tcm Name2
SAN QI
Mol2 Path
/TCM_database/2007_3d_all/07476.mol2
Reference
2487
Num Hdonors
1
Tcm Name En
Sanchi
Drug Likeness
0.566
Num Hacceptors
3
Isomeric Smiles
CCOC(=O)[C@@H]1CCC(=O)N1
Canonical Smiles
CCOC(=O)C1CCC(=O)N1
Herb Alias Names
7149-65-7L-Pyroglutamic acid ethyl esterethyl (2S)-5-oxopyrrolidine-2-carboxylateEthyl pidolate(S)-ethyl 5-oxopyrrolidine-2-carboxylateEthyl (S)-(+)-2-pyrrolidone-5-carboxylateH-Pyr-OEt(S)-(+)-5-Ethylcarboxyl-2-pyrrolidinoneEthyl 5-oxo-L-prolinate
Molecular Weight
157.070
Molecular Weight
157.17 g/mol
Molecule Formula
C7H11NO3
Molecular Formula
C7H11NO3
Molecular Formula
C7H11NO3
Molecular Formula
C7H11NO3
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.029
Quantitative Estimate Of Drug Likeness（Qed）
0.567