Depsidellin A

Details

• Internal ID: c68eb02a-2f54-47e9-a7b0-13afa7942612
• Taxonomy: Phenylpropanoids and polyketides > Depsides and depsidones
• IUPAC Name: [3-(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy-5-pentylphenyl] 2-hydroxy-4-methoxy-6-propylbenzoate
• SMILES (Canonical): CCCCCC1=CC(=CC(=C1)OC(=O)C2=C(C=C(C=C2O)OC)CCC)OC(=O)C3=C(C=C(C=C3O)OC)CCC
• SMILES (Isomeric): CCCCCC1=CC(=CC(=C1)OC(=O)C2=C(C=C(C=C2O)OC)CCC)OC(=O)C3=C(C=C(C=C3O)OC)CCC
• InChI: InChI=1S/C33H40O8/c1-6-9-10-13-21-14-26(40-32(36)30-22(11-7-2)16-24(38-4)19-28(30)34)18-27(15-21)41-33(37)31-23(12-8-3)17-25(39-5)20-29(31)35/h14-20,34-35H,6-13H2,1-5H3
• InChI Key: CNQDGAGAVYGQJG-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₃H₄₀O₈
• Molecular Weight: 564.70 g/mol
• Exact Mass: 564.27231823 g/mol
• Topological Polar Surface Area (TPSA): 112.00 Ų
• XlogP: 10.20

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
CHEMBL2581	P07339	Cathepsin D	97.36%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.74%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	95.39%	99.17%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	94.87%	95.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.40%	91.11%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	94.25%	92.08%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	89.54%	96.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.77%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	88.69%	94.73%
CHEMBL2535	P11166	Glucose transporter	87.09%	98.75%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	85.35%	97.29%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	83.78%	100.00%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	83.66%	95.89%
CHEMBL4208	P20618	Proteasome component C5	82.82%	90.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.45%	94.45%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	81.56%	92.62%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.36%	95.56%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.03%	90.71%
CHEMBL1966	Q02127	Dihydroorotate dehydrogenase	80.82%	96.09%

Plants that contains it

• Barleria prionitis
• Sempervivum ruthenicum
• Teucrium parvifolium

Cross-Links

• PubChem: 139584783
• LOTUS: LTS0102194
• wikiData: Q104964271