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
Internal ID | da34850c-64fe-445d-88d3-bc2e2602540f |
Taxonomy | Organoheterocyclic compounds > Furofurans |
IUPAC Name | 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) | CC1CC2(C=C(C(=O)O2)C)OC34C1CC5C3(O5)C6C(CC7C(OC8C7(CC6(CC4O)O)OC(=O)C8)(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 |
InChI Key | SVLAIBOYFCQLIY-UHFFFAOYSA-N |
Popularity | 0 references in papers |
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 |
There are no found synonyms. |
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
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% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
Kadsura coccinea |
PubChem | 74342668 |
LOTUS | LTS0180500 |
wikiData | Q105262155 |