Henridilactone B
| Internal ID | 116cc9fc-d80b-4431-96c5-dd0aa4dcc800 |
| Taxonomy | Organoheterocyclic compounds > Furopyrans |
| IUPAC Name | (1S,3R,7R,10S,15S,17R,18S,21S,22R,23R,25S,29R)-22,23-dihydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacos-12-ene-5,14,19,24-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H34O11/c1-12-17-19(36-20(12)32)28(35)21-24(4,22(33)25(28,5)34)8-9-26-11-27-14(23(2,3)37-15(27)10-16(30)38-27)7-6-13(26)18(31)29(21,39-17)40-26/h6,12,14-15,17,19,21,34-35H,7-11H2,1-5H3/t12-,14-,15+,17+,19-,21+,24-,25-,26-,27+,28-,29+/m0/s1 |
| InChI Key | IYDZDFROMNTTBD-DEDSSRKUSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C29H34O11 |
| Molecular Weight | 558.60 g/mol |
| Exact Mass | 558.21011190 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | -0.40 |
| 682745-24-0 |
| HenridilactoneB |
| (1S,3aS,3bR,3b1R,4R,5aS,7aS,8aR,11aR,13aS,16aS,17aR)-3b,4-dihydroxy-1,4,5a,13,13-pentamethyl-3a,3b,3b1,4,5a,6,7,11,11a,13a,14,17a-dodecahydro-2H,8H,10H-3,9,12,17,18-pentaoxa-7a,16a-methanocyclopenta[3',3a']azuleno[6',5':5,6]cycloocta[1,2,3-cd]-as-indacene-2,5,10,16(1H,13H)-tetraone |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.55% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.04% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.87% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.84% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.75% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.94% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.69% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.88% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.87% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.93% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.53% | 93.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.43% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.38% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.82% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.30% | 95.89% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.08% | 96.90% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.60% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.43% | 86.33% |
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.
| Schisandra lancifolia |
| Schisandra propinqua |
| Schisandra rubriflora |
| PubChem | 137346929 |
| LOTUS | LTS0055167 |
| wikiData | Q105122691 |