Yangpumicin A
| Internal ID | df836278-d179-42f4-a06e-4419014d857e |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids > 6-hydroxysteroids |
| IUPAC Name | (1S,17S,24R,26R)-4,11,24-trihydroxy-26-[(1R)-1-hydroxyethyl]-25-oxa-16-azahexacyclo[15.7.2.01,26.02,15.05,14.07,12]hexacosa-2,4,7(12),8,10,14,20-heptaen-18,22-diyne-6,13-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H17NO7/c1-12(28)25-17-9-4-2-3-5-10-18(31)26(25,34-25)14-11-16(30)20-21(22(14)27-17)24(33)19-13(23(20)32)7-6-8-15(19)29/h2-3,6-8,11-12,17-18,27-31H,1H3/t12-,17+,18-,25+,26+/m1/s1 |
| InChI Key | OBUHDEKWYQCPLP-DWOUCKERSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C26H17NO7 |
| Molecular Weight | 455.40 g/mol |
| Exact Mass | 455.10050188 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 2.30 |
| (1S,17S,24R,26R)-4,11,24-trihydroxy-26-((1R)-1-hydroxyethyl)-25-oxa-16-azahexacyclo(15.7.2.01,26.02,15.05,14.07,12)hexacosa-2,4,7(12),8,10,14,20-heptaen-18,22-diyne-6,13-dione |
| (1S,17S,24R,26R)-4,11,24-trihydroxy-26-[(1R)-1-hydroxyethyl]-25-oxa-16-azahexacyclo[15.7.2.01,26.02,15.05,14.07,12]hexacosa-2,4,7(12),8,10,14,20-heptaen-18,22-diyne-6,13-dione |
| RefChem:195594 |
| SCHEMBL30747812 |
| CHEBI:216781 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.74% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.44% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.48% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.06% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.35% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.82% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.10% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.77% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 91.72% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.37% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.85% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.78% | 90.71% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.55% | 92.88% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.35% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.58% | 85.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.41% | 95.93% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 87.21% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.24% | 82.69% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.83% | 85.11% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.31% | 100.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.15% | 85.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.02% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.46% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.18% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.05% | 90.00% |
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.
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| There are no matching plants. |
| PubChem | 139591107 |
| LOTUS | LTS0204176 |
| wikiData | Q105189174 |