Sollasin D

Details

• Internal ID: 75eb0af9-aaac-412a-b39a-440635159870
• Taxonomy: Organoheterocyclic compounds > Pyrans > Pyranones and derivatives
• IUPAC Name: 4-methoxy-6-[(E)-2-methyl-4-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]but-1-enyl]pyran-2-one
• InChI: InChI=1S/C20H28O3/c1-14(11-18-12-17(22-5)13-19(21)23-18)9-10-20(4)15(2)7-6-8-16(20)3/h7,11-13,16H,6,8-10H2,1-5H3/b14-11+/t16-,20-/m1/s1
• InChI Key: NCBOYBRBUGFNGR-RRHMOEORSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₈O₃
• Molecular Weight: 316.40 g/mol
• Exact Mass: 316.20384475 g/mol
• Topological Polar Surface Area (TPSA): 35.50 Ų
• XlogP: 5.30

Synonyms

• 4-methoxy-6-((E)-2-methyl-4-((1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl)but-1-enyl)pyran-2-one
• 4-methoxy-6-[(E)-2-methyl-4-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]but-1-enyl]pyran-2-one
• RefChem:184240
• MLS004774118
• CHEMBL483420
• SMR003500783

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	98.25%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.69%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.64%	86.33%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	92.51%	91.07%
CHEMBL4208	P20618	Proteasome component C5	90.48%	90.00%
CHEMBL241	Q14432	Phosphodiesterase 3A	90.15%	92.94%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.14%	96.09%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	86.25%	93.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.11%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.89%	97.09%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	85.38%	96.77%
CHEMBL2581	P07339	Cathepsin D	85.01%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.98%	94.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.81%	96.00%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	84.43%	92.62%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.47%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	81.87%	94.73%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.59%	95.89%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.58%	99.23%

Plants that contains it

• Syzygium jambos

Cross-Links

• PubChem: 10335934
• NPASS: NPC181587
• ChEMBL: CHEMBL483420
• LOTUS: LTS0045926
• wikiData: Q105177120