Chlamydospordiol

Details

• Internal ID: e6c7b64f-7c52-460e-b641-2e2596297a3f
• Taxonomy: Organoheterocyclic compounds > Pyrans > Pyranones and derivatives
• IUPAC Name: 6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxypyran-2-one
• InChI: InChI=1S/C11H16O5/c1-6(7(2)13)11-8(5-12)9(15-3)4-10(14)16-11/h4,6-7,12-13H,5H2,1-3H3
• InChI Key: BSXCHPRMOOSCRM-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₆O₅
• Molecular Weight: 228.24 g/mol
• Exact Mass: 228.09977361 g/mol
• Topological Polar Surface Area (TPSA): 76.00 Ų
• XlogP: -0.50

Synonyms

• 157998-92-0
• 6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxypyran-2-one
• 2H-Pyran-2-one, 5-(hydroxymethyl)-6-(2-hydroxy-1-methylpropyl)-4-methoxy- (9CI)
• 2H-Pyran-2-one, 5-(hydroxymethyl)-6-(2-hydroxy-1-methylpropyl)-4-methoxy-
• MEGxm0_000365
• ACon0_000990
• ACon1_001944
• DTXSID20935840
• CHEBI:182459
• 4-Methoxy-5-hydroxymethyl-6-(3-butan-2-ol)-2H-pyran-2-one
• AKOS040735680
• NCGC00179979-01
• BRD-A57446789-001-01-9
• 6-(3-Hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxy-2H-pyran-2-one

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
CHEMBL2581	P07339	Cathepsin D	95.76%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.34%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.40%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.40%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.02%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.92%	94.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.22%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.87%	86.33%
CHEMBL1255126	O15151	Protein Mdm4	86.11%	90.20%
CHEMBL1937	Q92769	Histone deacetylase 2	85.59%	94.75%
CHEMBL4208	P20618	Proteasome component C5	85.54%	90.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	84.59%	93.99%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	82.59%	85.14%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	82.37%	86.92%
CHEMBL2535	P11166	Glucose transporter	82.25%	98.75%
CHEMBL3401	O75469	Pregnane X receptor	82.23%	94.73%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.94%	96.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.55%	89.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 190904
• LOTUS: LTS0084814
• wikiData: Q82911936