(1S,12R,20S)-16,20-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene
| Internal ID | 3e6e038e-8067-414b-8bc4-2b93f9c8fdd5 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (1S,12R,20S)-16,20-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene |
| SMILES (Canonical) | COC1C2C(C3=C(O1)C=C(C=C3)OC)OC4=CC5=C(C=C24)OCO5 |
| SMILES (Isomeric) | CO[C@@H]1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)OC)OC4=CC5=C(C=C24)OCO5 |
| InChI | InChI=1S/C18H16O6/c1-19-9-3-4-10-12(5-9)24-18(20-2)16-11-6-14-15(22-8-21-14)7-13(11)23-17(10)16/h3-7,16-18H,8H2,1-2H3/t16-,17-,18-/m0/s1 |
| InChI Key | DBTYNEYODANUIL-BZSNNMDCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H16O6 |
| Molecular Weight | 328.30 g/mol |
| Exact Mass | 328.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (1S,12R,20S)-16,20-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/b90d7770-8638-11ee-9e86-21c1bd179040.jpg "2D Structure of (1S,12R,20S)-16,20-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene")
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 96.67% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.60% | 91.11% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 95.92% | 92.51% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.79% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.31% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.76% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.04% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.82% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.24% | 96.77% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 89.98% | 80.96% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.54% | 86.33% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 87.57% | 95.55% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.96% | 95.89% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.81% | 85.30% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.35% | 97.14% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.20% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.02% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.72% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.57% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.36% | 90.00% |
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.
| Millettia pulchra |
| PubChem | 162897451 |
| LOTUS | LTS0146221 |
| wikiData | Q104974852 |