IngredientID 19922

Gbl

C4H6O2

Relationship Network

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Herb: 6Ingredient: 1Target: 7Links: 13

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 19922
Core Entity Id: 25323
Source Entity Count: 1
Preferred Name: Gbl
Name En
Pubchem Id: 7302
Smiles Canonical: C1CC(=O)OC1
Molecular Formula: C4H6O2
Molecular Weight: 86.0900
Inchikey: YEJRWHAVMIAJKC-UHFFFAOYSA-N
Inchi: InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
Isomeric Smiles: C1CC(=O)OC1
Cas Id: 187997-16-6
Ob Score: 76.9060
Mol Logp: 0.3234
Num H Donors: 0
Num H Acceptors: 2
Num Rotatable Bonds: 0
Drug Likeness: 0.3970
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

GBL

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Gbl

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Gbl

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Gbl

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

.alpha.-Butyrolactone

Role

alias

Source

TCMBank

Preferred

Name

.gamma.-6480

Role

alias

Source

TCMBank

Preferred

Name

.gamma.-BL

Role

alias

Source

TCMBank

Preferred

Name

.gamma.-Butyrolactone

Role

alias

Source

TCMBank

Preferred

Name

.gamma.-Hydroxybutyric acid lactone

Role

alias

Source

TCMBank

Preferred

Name

1,2-Butanolide

Role

alias

Source

TCMBank

Preferred

Name

1,4-Butanolide

Role

alias

Source

itcmdb_public

Preferred

Name

1,4-Butanolide

Role

alias

Source

HERB_v2

Preferred

Name

1,4-Butanolide

Role

alias

Source

TCMBank

Preferred

Name

1,4-Butyrolactone

Role

alias

Source

TCMBank

Preferred

Name

1,4-Lactone

Role

alias

Source

TCMBank

Preferred

Name

1-Oxacyclopentane-2-one

Role

alias

Source

TCMBank

Preferred

Name

187997-16-6

Role

alias

Source

TCMBank

Preferred

Name

2(3H)-Furanone, dihydro-

Role

alias

Source

TCMBank

Preferred

Name

2-Oxolanone

Role

alias

Source

HERB_v2

Preferred

Name

2-Oxolanone

Role

alias

Source

TCMBank

Preferred

Name

2-Oxolanone

Role

alias

Source

itcmdb_public

Preferred

Name

2-Oxotetrahydrofuran

Role

alias

Source

TCMBank

Preferred

Name

2-tetrahydrofuranone

Role

alias

Source

TCMBank

Preferred

Name

3-Hydroxybutyric acid lactone

Role

alias

Source

TCMBank

Preferred

Name

4-Butanolide

Role

alias

Source

HERB_v2

Preferred

Name

4-Butanolide

Role

alias

Source

itcmdb_public

Preferred

Name

4-Butanolide

Role

alias

Source

TCMBank

Preferred

Name

4-Butyrolactone

Role

alias

Source

TCMBank

Preferred

Name

4-Butyrolactone

Role

alias

Source

HERB_v2

Preferred

Name

4-Butyrolactone

Role

alias

Source

itcmdb_public

Preferred

Name

4-Deoxytetronic acid

Role

alias

Source

HERB_v2

Preferred

Name

4-Deoxytetronic acid

Role

alias

Source

TCMBank

Preferred

Name

4-Deoxytetronic acid

Role

alias

Source

itcmdb_public

Preferred

Name

4-Hydroxybutanoic acid lactone

Role

alias

Source

TCMBank

Preferred

Name

4-Hydroxybutanoic acid, .gamma.-lactone

Role

alias

Source

TCMBank

Preferred

Name

4-Hydroxybutyric acid lactone

Role

alias

Source

TCMBank

Preferred

Name

4-Hydroxybutyric acid lactone

Role

alias

Source

itcmdb_public

Preferred

Name

4-Hydroxybutyric acid lactone

Role

alias

Source

HERB_v2

Preferred

Name

4-Hydroxybutyric acid, .gamma.-lactone

Role

alias

Source

TCMBank

Preferred

Name

96-48-0

Role

alias

Source

HERB_v2

Preferred

Name

96-48-0

Role

alias

Source

TCMBank

Preferred

Name

96-48-0

Role

alias

Source

itcmdb_public

Preferred

Name

AI3-28121

Role

alias

Source

TCMBank

Preferred

Name

Agrisynth BLO

Role

alias

Source

TCMBank

Preferred

Name

B103608_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

BLO

Role

alias

Source

TCMBank

Preferred

Name

BLON

Role

alias

Source

TCMBank

Preferred

Name

BUTANOIC ACID,4-HYDROXY,LACTONE GAMMA-BUTYROLACTONE

Role

alias

Source

TCMBank

Preferred

Name

BUTYROLACTONE

Role

alias

Source

itcmdb_public

Preferred

Name

BUTYROLACTONE

Role

alias

Source

HERB_v2

Preferred

Name

Butanoic acid, 4-hydroxy-, .gamma.-lactone

Role

alias

Source

TCMBank

Preferred

Name

Butyric acid lactone

Role

alias

Source

TCMBank

Preferred

Name

Butyric acid, 4-hydroxy-, gamma-lactone

Role

alias

Source

TCMBank

Preferred

Name

Butyrolactone

Role

alias

Source

TCMBank

Preferred

Name

Butyryl lactone

Role

alias

Source

TCMBank

Preferred

Name

Butyrylactone

Role

alias

Source

TCMBank

Preferred

Name

C-1070

Role

alias

Source

TCMBank

Preferred

Name

C01770

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 2924

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:42639

Role

alias

Source

TCMBank

Preferred

Name

Caswell No. 132B

Role

alias

Source

TCMBank

Preferred

Name

Dihydro-2(3H)-furanone

Role

alias

Source

TCMBank

Preferred

Name

Dihydro-2-furanone

Role

alias

Source

TCMBank

Preferred

Name

Dihyro-2-furanone

Role

alias

Source

TCMBank

Preferred

Name

EINECS 202-509-5

Role

alias

Source

TCMBank

Preferred

Name

EPA Pesticide Chemical Code 122303

Role

alias

Source

TCMBank

Preferred

Name

FEMA No. 3291

Role

alias

Source

TCMBank

Preferred

Name

Gamma-Butanolactone

Role

alias

Source

TCMBank

Preferred

Name

Gamma-Lactone 4-hydroxy-butyric acid

Role

alias

Source

TCMBank

Preferred

Name

Gamma-Lactone 4-hydroxybutanoic acid

Role

alias

Source

TCMBank

Preferred

Name

HSDB 4290

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C4H6O2/c5-4-2-1-3-6-4/h1-3H

Role

alias

Source

TCMBank

Preferred

Name

LS-2010

Role

alias

Source

TCMBank

Preferred

Name

NCI-C55878

Role

alias

Source

TCMBank

Preferred

Name

NSC4592

Role

alias

Source

TCMBank

Preferred

Name

No Go

Role

alias

Source

TCMBank

Preferred

Name

Tetrahydro-2-furanone

Role

alias

Source

TCMBank

Preferred

Name

W329118_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

WLN: T5OVTJ

Role

alias

Source

TCMBank

Preferred

Name

ZINC04658567

Role

alias

Source

TCMBank

Preferred

Name

c0033

Role

alias

Source

TCMBank

Preferred

Name

dihydrofuran-2(3H)-one

Role

alias

Source

HERB_v2

Preferred

Name

dihydrofuran-2(3H)-one

Role

alias

Source

TCMBank

Preferred

Name

dihydrofuran-2(3H)-one

Role

alias

Source

itcmdb_public

Preferred

Name

gamma-Butyrolactone

Role

alias

Source

HERB_v2

Preferred

Name

gamma-Butyrolactone

Role

alias

Source

itcmdb_public

Preferred

Name

gamma-Butyrolactone (natural)

Role

alias

Source

TCMBank

Preferred

Name

gamma-Hydroxybutyric acid cyclic ester

Role

alias

Source

TCMBank

Preferred

Name

gamma-Hydroxybutyrolactone

Role

alias

Source

TCMBank

Preferred

Name

oxolan-2-one

Role

alias

Source

TCMBank

Preferred

Name

tetrahydrofuran-2-one

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

.alpha.-Butyrolactone.gamma.-6480.gamma.-BL.gamma.-Butyrolactone.gamma.-Hydroxybutyric acid lactone1,2-Butanolide1,4-Butanolide1,4-Butyrolactone1,4-Lactone1-Oxacyclopentane-2-one187997-16-62(3H)-Furanone, dihydro-2-Oxolanone2-Oxotetrahydrofuran2-tetrahydrofuranone3-Hydroxybutyric acid lactone4-Butanolide4-Butyrolactone4-Deoxytetronic acid4-Hydroxybutanoic acid lactone4-Hydroxybutanoic acid, .gamma.-lactone4-Hydroxybutyric acid lactone4-Hydroxybutyric acid, .gamma.-lactone96-48-0AI3-28121Agrisynth BLOB103608_ALDRICHBLOBLONBUTANOIC ACID,4-HYDROXY,LACTONE GAMMA-BUTYROLACTONEBUTYROLACTONEButanoic acid, 4-hydroxy-, .gamma.-lactoneButyric acid lactoneButyric acid, 4-hydroxy-, gamma-lactoneButyryl lactoneButyrylactoneC-1070C01770CCRIS 2924CHEBI:42639Caswell No. 132BDihydro-2(3H)-furanoneDihydro-2-furanoneDihyro-2-furanoneEINECS 202-509-5EPA Pesticide Chemical Code 122303FEMA No. 3291Gamma-ButanolactoneGamma-Lactone 4-hydroxy-butyric acidGamma-Lactone 4-hydroxybutanoic acidHSDB 4290InChI=1/C4H6O2/c5-4-2-1-3-6-4/h1-3HLS-2010NCI-C55878NSC4592No GoTetrahydro-2-furanoneW329118_ALDRICHWLN: T5OVTJZINC04658567c0033dihydrofuran-2(3H)-onegamma-Butyrolactonegamma-Butyrolactone (natural)gamma-Hydroxybutyric acid cyclic estergamma-Hydroxybutyrolactoneoxolan-2-onetetrahydrofuran-2-one

Cross References

Trusted external identifiers retained for this final record.

Cas

187997-16-6

Herb

HBIN019157HBIN027401HBIN049104

Npass

NPC234005

Tcmid

3357136342

Tcmsp

MOL002576

Sym Map

SMIT04793

Pub Chem

7302

Tcmbank

TCMBANKIN058581

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2

Mol Wt

86.09

Cas Id

187997-16-6

Smiles

C1CC(=O)OC1

Mol Log P

0.3234

Version

v1,v2

In Ch Ikey

YEJRWHAVMIAJKC-UHFFFAOYSA-N

Ob Score

76.9059676.905960476.906

Suppress

Num Hdonors

Drug Likeness

0.397

Num Hacceptors

Isomeric Smiles

C1CC(=O)OC1

Molecule Weight

86.1

Canonical Smiles

C1CC(=O)OC1

Herb Alias Names

gamma-Butyrolactone96-48-0BUTYROLACTONEdihydrofuran-2(3H)-one4-Butyrolactone4-Butanolide1,4-Butanolide2-Oxolanone4-Hydroxybutyric acid lactone4-Deoxytetronic acid

Molecular Weight

86.09

Molecular Formula

C4H6O2

Molecular Formula

C4H6O2

Num Rotatable Bonds