(5aR,10aS)-1,3,8,10a-tetrahydroxy-2,4,5a-tris(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one
| Internal ID | c733a3cf-7a50-485b-aefd-6adcf273f8c3 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | (5aR,10aS)-1,3,8,10a-tetrahydroxy-2,4,5a-tris(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one |
| SMILES (Canonical) | CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3(C(O2)(C4=C(O3)C=C(C=C4)O)CC=C(C)C)O)CC=C(C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=C2C(=C1O)C(=O)[C@@]3([C@](O2)(C4=C(O3)C=C(C=C4)O)CC=C(C)C)O)CC=C(C)C)O)C |
| InChI | InChI=1S/C30H34O7/c1-16(2)7-10-20-25(32)21(11-8-17(3)4)27-24(26(20)33)28(34)30(35)29(37-27,14-13-18(5)6)22-12-9-19(31)15-23(22)36-30/h7-9,12-13,15,31-33,35H,10-11,14H2,1-6H3/t29-,30-/m1/s1 |
| InChI Key | FHRIMKTUWXMHKX-LOYHVIPDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H34O7 |
| Molecular Weight | 506.60 g/mol |
| Exact Mass | 506.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of (5aR,10aS)-1,3,8,10a-tetrahydroxy-2,4,5a-tris(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/5ar10as-13810a-tetrahydroxy-245a-tris3-methylbut-2-enyl-1benzofuro32-bchromen-11-one.jpg "2D Structure of (5aR,10aS)-1,3,8,10a-tetrahydroxy-2,4,5a-tris(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.53% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 99.34% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.71% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.83% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.15% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.68% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.08% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.47% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.24% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.77% | 95.56% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 85.57% | 95.64% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.10% | 97.28% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.43% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.62% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.43% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.19% | 99.15% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.96% | 91.71% |
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.
| Sorocea guilleminiana |
| PubChem | 163188052 |
| LOTUS | LTS0085243 |
| wikiData | Q104995433 |