alpha-Methylene-gamma-butyrolactone

Details

Top
Internal ID a46ffb4a-d812-4443-875a-8b9e6cf95b2e
Taxonomy Organoheterocyclic compounds > Lactones > Gamma butyrolactones
IUPAC Name 3-methylideneoxolan-2-one
SMILES (Canonical) C=C1CCOC1=O
SMILES (Isomeric) C=C1CCOC1=O
InChI InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2
InChI Key GSLDEZOOOSBFGP-UHFFFAOYSA-N
Popularity 328 references in papers

Physical and Chemical Properties

Top
Molecular Formula C5H6O2
Molecular Weight 98.10 g/mol
Exact Mass 98.036779430 g/mol
Topological Polar Surface Area (TPSA) 26.30 Ų
XlogP 0.80

Synonyms

Top
alpha-Methylene-gamma-butyrolactone
Tulipalin A
2-methylenebutyrolactone
3-Methylenedihydro-2(3H)-furanone
Tulipane
3-methylideneoxolan-2-one
alpha-Methylene butyrolactone
3-methylenedihydrofuran-2(3H)-one
2(3H)-Furanone, dihydro-3-methylene-
Dihydro-3-methylene-2(3H)-furanone
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of alpha-Methylene-gamma-butyrolactone

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.63% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.08% 91.11%
CHEMBL2581 P07339 Cathepsin D 84.63% 98.95%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Alstroemeria aurea
Alstroemeria diluta
Erythronium americanum
Erythronium grandiflorum
Laurus nobilis
Spiraea thunbergii
Tulipa gesneriana
Tulipa sylvestris

Cross-Links

Top
PubChem 68352
LOTUS LTS0147552
wikiData Q18882035