Gliomasolide G

Details

• Internal ID: 5fcb1cdb-8eaf-4751-b081-9870d9378874
• Taxonomy: Organoheterocyclic compounds > Lactones > Delta valerolactones
• IUPAC Name: (4S,5S,6S)-4-hydroxy-5-methyl-6-prop-1-enyloxan-2-one
• SMILES (Canonical): CC=CC1C(C(CC(=O)O1)O)C
• SMILES (Isomeric): CC=C[C@H]1[C@H]([C@H](CC(=O)O1)O)C
• InChI: InChI=1S/C9H14O3/c1-3-4-8-6(2)7(10)5-9(11)12-8/h3-4,6-8,10H,5H2,1-2H3/t6-,7-,8-/m0/s1
• InChI Key: UHQLZADFLWDALF-FXQIFTODSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₄O₃
• Molecular Weight: 170.21 g/mol
• Exact Mass: 170.094294304 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 0.90

Synonyms

• (4S,5S,6S)-4-hydroxy-5-methyl-6-prop-1-enyloxan-2-one
• (4S,5S,6S)-4-hydroxy-5-methyl-6-((E)-prop-1-enyl)oxan-2-one
• (4S,5S,6S)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-one
• RefChem:143371
• CHEBI:213722

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.22%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.65%	91.11%
CHEMBL2581	P07339	Cathepsin D	86.28%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.89%	89.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.72%	99.23%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.31%	85.14%
CHEMBL1951	P21397	Monoamine oxidase A	81.17%	91.49%
CHEMBL3401	O75469	Pregnane X receptor	80.24%	94.73%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139590654
• LOTUS: LTS0093298
• wikiData: Q105273046