(6R,21S)-21-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one
| Internal ID | f4cdc37f-caf2-4770-9042-a58db7aabf2f |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | (6R,21S)-21-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one |
| SMILES (Canonical) | CC(=C)C1CC2=C(O1)C=CC3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4O)OC)OC |
| SMILES (Isomeric) | CC(=C)[C@H]1CC2=C(O1)C=CC3=C2OC4=C(C3=O)C5=CC(=C(C=C5O[C@@H]4O)OC)OC |
| InChI | InChI=1S/C23H20O7/c1-10(2)15-8-13-14(28-15)6-5-11-20(24)19-12-7-17(26-3)18(27-4)9-16(12)29-23(25)22(19)30-21(11)13/h5-7,9,15,23,25H,1,8H2,2-4H3/t15-,23+/m1/s1 |
| InChI Key | FQWPFJMIQXANSW-CMJOXMDJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H20O7 |
| Molecular Weight | 408.40 g/mol |
| Exact Mass | 408.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 83.40 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (6R,21S)-21-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/fb297760-86bc-11ee-959d-39cce5d852e8.jpg "2D Structure of (6R,21S)-21-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.09% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.99% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.46% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.18% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.04% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.89% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.26% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.07% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.23% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.60% | 86.33% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 86.82% | 96.86% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.59% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.41% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.25% | 97.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.67% | 95.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.47% | 89.50% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.44% | 94.80% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.61% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.99% | 99.17% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.58% | 96.00% |
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.
| Amorpha canescens |
| PubChem | 163015575 |
| LOTUS | LTS0057322 |
| wikiData | Q104999956 |