Wuweizidilactone H

Details

• Internal ID: 4704b0b7-78ae-4a04-a9f5-1646b99a15b3
• Taxonomy: Organoheterocyclic compounds > Furofurans
• IUPAC Name: (1R,2S,4S,6R,7R,9S,11R,12S,14S,16R,20R,23S,25R)-12,14,25-trihydroxy-3',7,22,22-tetramethylspiro[3,10,17,21-tetraoxaheptacyclo[12.11.0.02,4.02,11.06,11.016,20.016,23]pentacosane-9,5'-furan]-2',18-dione
• SMILES (Canonical): CC1CC2(C=C(C(=O)O2)C)OC34C1CC5C3(O5)C6C(CC7C(OC8C7(CC6(CC4O)O)OC(=O)C8)(C)C)O
• SMILES (Isomeric): C[C@@H]1C[C@]2(C=C(C(=O)O2)C)O[C@@]34[C@@H]1C[C@H]5[C@@]3(O5)[C@@H]6[C@@H](C[C@@H]7[C@]8(C[C@]6(C[C@@H]4O)O)[C@@H](CC(=O)O8)OC7(C)C)O
• InChI: InChI=1S/C28H36O10/c1-12-8-25(9-13(2)22(32)37-25)38-27-14(12)5-19-28(27,35-19)21-15(29)6-16-23(3,4)34-18-7-20(31)36-26(16,18)11-24(21,33)10-17(27)30/h9,12,14-19,21,29-30,33H,5-8,10-11H2,1-4H3/t12-,14-,15-,16+,17+,18-,19+,21-,24+,25-,26-,27-,28-/m1/s1
• InChI Key: SVLAIBOYFCQLIY-PNNZTPFKSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₈H₃₆O₁₀
• Molecular Weight: 532.60 g/mol
• Exact Mass: 532.23084734 g/mol
• Topological Polar Surface Area (TPSA): 144.00 Ų
• XlogP: 0.10

Synonyms

• AKOS040736427
• 1033288-82-2

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	98.21%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	96.12%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.69%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.07%	86.33%
CHEMBL2581	P07339	Cathepsin D	90.50%	98.95%
CHEMBL218	P21554	Cannabinoid CB1 receptor	90.15%	96.61%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.01%	89.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.67%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.35%	96.09%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	87.25%	82.69%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	86.64%	97.14%
CHEMBL1937	Q92769	Histone deacetylase 2	85.09%	94.75%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.07%	100.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.06%	99.23%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	83.01%	94.80%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	82.15%	100.00%
CHEMBL4208	P20618	Proteasome component C5	81.29%	90.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.26%	95.89%

Plants that contains it

• Kadsura coccinea

Cross-Links

• PubChem: 24879112
• LOTUS: LTS0183072
• wikiData: Q105262154