(5R,6R)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde

Details

• Internal ID: 50444998-8d5f-447a-a81d-9ed99edcabcc
• Taxonomy: Organoheterocyclic compounds > Lactones > Gamma butyrolactones
• IUPAC Name: (5R,6R)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde
• SMILES (Canonical): C1CC2(CCOC2=O)C(C=C1C=O)O
• SMILES (Isomeric): C1C[C@@]2(CCOC2=O)[C@@H](C=C1C=O)O
• InChI: InChI=1S/C10H12O4/c11-6-7-1-2-10(8(12)5-7)3-4-14-9(10)13/h5-6,8,12H,1-4H2/t8-,10-/m1/s1
• InChI Key: NOJVXIYSKYICFF-PSASIEDQSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₂O₄
• Molecular Weight: 196.20 g/mol
• Exact Mass: 196.07355886 g/mol
• Topological Polar Surface Area (TPSA): 63.60 Ų
• XlogP: -0.40

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
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	96.25%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.97%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.51%	91.11%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.51%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.32%	96.09%

Plants that contains it

• Cananga odorata

Cross-Links

• PubChem: 11030720
• LOTUS: LTS0162241
• wikiData: Q105182608