17-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4,12,20-trioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),6,9,14(19),15,17-octaene-5,21-dione
| Internal ID | 4a328635-3f10-4220-a946-bc0d13e5a15b |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Coumestans |
| IUPAC Name | 17-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4,12,20-trioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),6,9,14(19),15,17-octaene-5,21-dione |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=CC3=C(C=C2)C4=C(C5=C(O4)C=CC6=C5OC(=O)C=C6)C(=O)O3)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C2)C4=C(C5=C(O4)C=CC6=C5OC(=O)C=C6)C(=O)O3)O)O)O |
| InChI | InChI=1S/C24H18O10/c1-9-18(26)19(27)20(28)24(30-9)31-11-4-5-12-14(8-11)33-23(29)17-16-13(32-22(12)17)6-2-10-3-7-15(25)34-21(10)16/h2-9,18-20,24,26-28H,1H3/t9-,18-,19+,20+,24-/m0/s1 |
| InChI Key | CGPMFXUKNVLABW-XEVBZUFOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H18O10 |
| Molecular Weight | 466.40 g/mol |
| Exact Mass | 466.08999677 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 17-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4,12,20-trioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),6,9,14(19),15,17-octaene-5,21-dione](https://plantaedb.com/storage/docs/compounds/2023/11/84f9d220-84e0-11ee-b2aa-67d5b8dadea3.jpg "2D Structure of 17-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4,12,20-trioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),6,9,14(19),15,17-octaene-5,21-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.82% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.69% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.95% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.34% | 98.95% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 93.91% | 83.57% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.48% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.80% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.82% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.90% | 94.73% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 88.39% | 97.36% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 88.24% | 92.51% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.93% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.27% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.43% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.92% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.70% | 95.89% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 84.40% | 97.53% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.38% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.73% | 98.75% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.96% | 93.31% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.50% | 92.62% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.08% | 94.42% |
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.
| Lasiosiphon glaucus |
| PubChem | 163186221 |
| LOTUS | LTS0074312 |
| wikiData | Q104958003 |