Usararotenoid C
| Internal ID | b6de7536-187e-48f4-886c-c1aa97af6b57 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | (1S,13R)-1-hydroxy-17-methoxy-16-(3-methylbut-2-enyl)-5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1OC3COC4=CC5=C(C=C4C3(C2=O)O)OCO5)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1O[C@@H]3COC4=CC5=C(C=C4[C@]3(C2=O)O)OCO5)OC)C |
| InChI | InChI=1S/C23H22O7/c1-12(2)4-5-13-16(26-3)7-6-14-21(13)30-20-10-27-17-9-19-18(28-11-29-19)8-15(17)23(20,25)22(14)24/h4,6-9,20,25H,5,10-11H2,1-3H3/t20-,23+/m1/s1 |
| InChI Key | ZFSLOJRJABHMTL-OFNKIYASSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H22O7 |
| Molecular Weight | 410.40 g/mol |
| Exact Mass | 410.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 83.40 Ų |
| XlogP | 3.80 |
| CHEMBL3758287 |
| NCGC00385810-01! |
| (6aR,12aS)-2,3-Methylenedioxy-9-methoxy-8-(3,3-dimethylallyl)-12a-hydroxyrotenoid |
| (6aR,12aS)-12a-hydroxy-9-methoxy-8-(3-methylbut-2-en-1-yl)-6a,12a-dihydrochromeno[2,3-c][1,3]dioxolo[4,5-g]chromen-12(6H)-one |
| 1,3-dioxolo[6,7][1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one, 6a,12a-dihydro-12a-hydroxy-9-methoxy-8-(3-methyl-2-butenyl)-, (6aR,12aS)- |
| InChI=1/C23H22O7/c1-12(2)4-5-13-16(26-3)7-6-14-21(13)30-20-10-27-17-9-19-18(28-11-29-19)8-15(17)23(20,25)22(14)24/h4,6-9,20,25H,5,10-11H2,1-3H3/t20-,23+/m1/s |
| 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 | 98.07% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.79% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.62% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.30% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.19% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.28% | 92.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.23% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.85% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.87% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.86% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.68% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.48% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.70% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.77% | 85.14% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 86.60% | 97.28% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.37% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.63% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.52% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.57% | 89.50% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.56% | 90.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.52% | 91.19% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.39% | 89.62% |
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.
| Millettia usaramensis |
| PubChem | 641748 |
| LOTUS | LTS0222222 |
| wikiData | Q105374650 |