(2S,4aS,4bR,6R,7R,10aR)-2,6-dihydroxy-7-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4b-methyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-1-one
| Internal ID | fb703435-c416-45c9-8aa0-91725e9b2ec1 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | (2S,4aS,4bR,6R,7R,10aR)-2,6-dihydroxy-7-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4b-methyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H62O14/c1-20-26(12-14-49-20)41(45)13-11-27-25(39(41)44)10-9-24-15-29(28(42)19-40(24,27)5)53-33-17-31(47-7)37(22(3)51-33)55-35-18-32(48-8)38(23(4)52-35)54-34-16-30(46-6)36(43)21(2)50-34/h9,12,14,21-23,25,27-38,42-43,45H,10-11,13,15-19H2,1-8H3/t21-,22+,23+,25+,27-,28+,29+,30+,31-,32-,33-,34-,35-,36-,37+,38+,40-,41-/m0/s1 |
| InChI Key | BKMTVEKXAQFBQB-GKFHXSTCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C41H62O14 |
| Molecular Weight | 778.90 g/mol |
| Exact Mass | 778.41395665 g/mol |
| Topological Polar Surface Area (TPSA) | 174.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (2S,4aS,4bR,6R,7R,10aR)-2,6-dihydroxy-7-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4b-methyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/23271ce0-867e-11ee-b5cf-5580e9a3aa8c.jpg "2D Structure of (2S,4aS,4bR,6R,7R,10aR)-2,6-dihydroxy-7-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4b-methyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-1-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.62% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.95% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.11% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.94% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.81% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.39% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.36% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.15% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.21% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.01% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.55% | 96.77% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.30% | 95.93% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.95% | 99.23% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 86.66% | 97.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.40% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.91% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.58% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.34% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.88% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.23% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.90% | 91.07% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.62% | 96.43% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.60% | 98.59% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.04% | 92.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.24% | 93.99% |
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.
| Vincetoxicum sublanceolatum |
| PubChem | 16093711 |
| LOTUS | LTS0217537 |
| wikiData | Q104937691 |