Vibralactone G

Details

• Internal ID: 5b025498-6c44-4019-96e6-c50813e75c3c
• Taxonomy: Organoheterocyclic compounds > Lactones > Gamma butyrolactones
• IUPAC Name: (3S,5S)-3-[(Z)-4-hydroxy-3-methylbut-2-enyl]-5-methyloxolan-2-one
• SMILES (Canonical): CC1CC(C(=O)O1)CC=C(C)CO
• SMILES (Isomeric): C[C@H]1C[C@@H](C(=O)O1)C/C=C(/C)\CO
• InChI: InChI=1S/C10H16O3/c1-7(6-11)3-4-9-5-8(2)13-10(9)12/h3,8-9,11H,4-6H2,1-2H3/b7-3-/t8-,9-/m0/s1
• InChI Key: ADBMMOURWGZZKA-MTMYIVCTSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₆O₃
• Molecular Weight: 184.23 g/mol
• Exact Mass: 184.109944368 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 1.40

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.90%	91.11%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	88.90%	89.34%
CHEMBL2581	P07339	Cathepsin D	87.22%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.70%	95.56%
CHEMBL253	P34972	Cannabinoid CB2 receptor	85.60%	97.25%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	84.51%	86.92%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.80%	89.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.76%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.68%	97.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139587656
• LOTUS: LTS0079134
• wikiData: Q105225678