(6aS,11aR)-3-methoxy-2-(3-methylbut-2-enyl)-5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzofuran-9-ol
| Internal ID | f277c427-3135-4a08-8102-086b3ced6f03 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (6aS,11aR)-3-methoxy-2-(3-methylbut-2-enyl)-5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzofuran-9-ol |
| SMILES (Canonical) | CC(=CCC1=C(C=C2CCC3C(C2=C1)OC4=C3C=CC(=C4)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C2CC[C@@H]3[C@H](C2=C1)OC4=C3C=CC(=C4)O)OC)C |
| InChI | InChI=1S/C22H24O3/c1-13(2)4-5-15-10-19-14(11-20(15)24-3)6-8-18-17-9-7-16(23)12-21(17)25-22(18)19/h4,7,9-12,18,22-23H,5-6,8H2,1-3H3/t18-,22+/m0/s1 |
| InChI Key | RRFCCVUVTGTWNN-PGRDOPGGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O3 |
| Molecular Weight | 336.40 g/mol |
| Exact Mass | 336.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of (6aS,11aR)-3-methoxy-2-(3-methylbut-2-enyl)-5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzofuran-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/6as11ar-3-methoxy-2-3-methylbut-2-enyl-566a11a-tetrahydronaphtho12-b1benzofuran-9-ol.jpg "2D Structure of (6aS,11aR)-3-methoxy-2-(3-methylbut-2-enyl)-5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzofuran-9-ol")
| 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 | 98.92% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.14% | 96.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 95.22% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.13% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.84% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.82% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.28% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.22% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.46% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.99% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.93% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.80% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.40% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.79% | 92.94% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.16% | 89.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.20% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.65% | 89.05% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.45% | 99.18% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.13% | 89.50% |
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.
| Erythrina variegata |
| PubChem | 5319538 |
| LOTUS | LTS0131643 |
| wikiData | Q105243984 |