[13,24-dihydroxy-7,21,21-trimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)-17-oxo-3,9,16,20-tetraoxaheptacyclo[11.11.0.02,4.02,10.06,10.015,19.015,22]tetracosan-11-yl] acetate
Internal ID | 085807a7-cea7-44de-bdea-3fde4bef0294 |
Taxonomy | Organoheterocyclic compounds > Furopyrans |
IUPAC Name | [13,24-dihydroxy-7,21,21-trimethyl-8-(4-methyl-5-oxo-2H-furan-2-yl)-17-oxo-3,9,16,20-tetraoxaheptacyclo[11.11.0.02,4.02,10.06,10.015,19.015,22]tetracosan-11-yl] acetate |
SMILES (Canonical) | CC1C2CC3C4(C2(C(CC5(C4C(CC6C(OC7C6(C5)OC(=O)C7)(C)C)O)O)OC(=O)C)OC1C8C=C(C(=O)O8)C)O3 |
SMILES (Isomeric) | CC1C2CC3C4(C2(C(CC5(C4C(CC6C(OC7C6(C5)OC(=O)C7)(C)C)O)O)OC(=O)C)OC1C8C=C(C(=O)O8)C)O3 |
InChI | InChI=1S/C30H38O11/c1-12-6-17(37-25(12)34)23-13(2)15-7-20-30(39-20)24-16(32)8-18-26(4,5)38-19-9-22(33)40-28(18,19)11-27(24,35)10-21(36-14(3)31)29(15,30)41-23/h6,13,15-21,23-24,32,35H,7-11H2,1-5H3 |
InChI Key | AITSKAHPYPHTKI-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H38O11 |
Molecular Weight | 574.60 g/mol |
Exact Mass | 574.24141202 g/mol |
Topological Polar Surface Area (TPSA) | 150.00 Ų |
XlogP | 0.40 |
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 |
---|---|---|---|---|
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.56% | 85.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.41% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.44% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.53% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.15% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 90.93% | 98.95% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.58% | 97.05% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.75% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.71% | 97.09% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.70% | 97.14% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.61% | 94.80% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.45% | 99.23% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.72% | 97.33% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.29% | 94.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.84% | 100.00% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 83.07% | 97.79% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.74% | 94.75% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.67% | 95.89% |
CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.32% | 96.39% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.29% | 83.82% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 80.10% | 91.49% |
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 | 75304857 |
LOTUS | LTS0066701 |
wikiData | Q104912961 |