Nectripenoid B
| Internal ID | ce62576b-6c39-4f83-b0c3-52dad39b537a |
| Taxonomy | Organoheterocyclic compounds > Pyrans |
| IUPAC Name | (3R,4aR,6aR,12bR)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(2S)-4-methyl-3-oxohex-4-en-2-yl]-1,2,3,4a,5,6-hexahydropyrano[3,2-a]xanthene-8,11-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H36O6/c1-8-15(2)23(30)16(3)17-13-19(29)18-14-20-27(6)11-9-21(26(4,5)32)33-22(27)10-12-28(20,7)34-25(18)24(17)31/h8,13-14,16,21-22,32H,9-12H2,1-7H3/t16-,21+,22+,27+,28+/m0/s1 |
| InChI Key | CAYWUJRUZNRPFX-RKEMPICLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H36O6 |
| Molecular Weight | 468.60 g/mol |
| Exact Mass | 468.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 3.20 |
| (3R,4aR,6aR,12bR)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(2S)-4-methyl-3-oxohex-4-en-2-yl]-1,2,3,4a,5,6-hexahydropyrano[3,2-a]xanthene-8,11-dione |
| (3R,4aR,6aR,12bR)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-((2S)-4-methyl-3-oxohex-4-en-2-yl)-1,2,3,4a,5,6-hexahydropyrano(3,2-a)xanthene-8,11-dione |
| RefChem:164990 |
| CHEBI:219768 |
| 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 |
|---|---|---|---|---|
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.34% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.73% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.91% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.88% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.75% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.30% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.33% | 99.23% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.46% | 85.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.41% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.20% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.50% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.21% | 91.19% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.85% | 96.77% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.69% | 97.14% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.02% | 96.43% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.85% | 96.09% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.91% | 95.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.43% | 94.73% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.41% | 92.29% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.82% | 96.90% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.00% | 96.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.90% | 100.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.30% | 85.30% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.06% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 139591545 |
| LOTUS | LTS0201016 |
| wikiData | Q104952094 |