[(2S,10R,11R,13R,14S,15R)-6,7,18,19-tetramethoxy-10,15-bis(4-methoxyphenyl)-9,12,16-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),3(8),4,6,17(21),18-hexaen-14-yl] acetate
| Internal ID | 18e01a2e-d5a2-4c82-a4d0-3cecd8f01068 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Leucoanthocyanidins |
| IUPAC Name | [(2S,10R,11R,13R,14S,15R)-6,7,18,19-tetramethoxy-10,15-bis(4-methoxyphenyl)-9,12,16-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),3(8),4,6,17(21),18-hexaen-14-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C(OC2=C3C1OC4C(C3=CC(=C2OC)OC)C5=C(C(=C(C=C5)OC)OC)OC4C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC |
| SMILES (Isomeric) | CC(=O)O[C@@H]1[C@H](OC2=C3[C@H]1O[C@@H]4[C@@H](C3=CC(=C2OC)OC)C5=C(C(=C(C=C5)OC)OC)O[C@@H]4C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC |
| InChI | InChI=1S/C38H38O11/c1-19(39)46-38-31(21-10-14-23(41-3)15-11-21)48-36-29-25(18-27(43-5)34(36)45-7)28-24-16-17-26(42-4)33(44-6)32(24)47-30(35(28)49-37(29)38)20-8-12-22(40-2)13-9-20/h8-18,28,30-31,35,37-38H,1-7H3/t28-,30-,31-,35-,37-,38-/m1/s1 |
| InChI Key | BBHOFHRZCBGYTB-IFHOKAHPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H38O11 |
| Molecular Weight | 670.70 g/mol |
| Exact Mass | 670.24141202 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of [(2S,10R,11R,13R,14S,15R)-6,7,18,19-tetramethoxy-10,15-bis(4-methoxyphenyl)-9,12,16-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),3(8),4,6,17(21),18-hexaen-14-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/400c4d70-8603-11ee-baa8-a9f9be3df237.jpg "2D Structure of [(2S,10R,11R,13R,14S,15R)-6,7,18,19-tetramethoxy-10,15-bis(4-methoxyphenyl)-9,12,16-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),3(8),4,6,17(21),18-hexaen-14-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.02% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.72% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.11% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.81% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.54% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.10% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.06% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.22% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.62% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.41% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.08% | 91.19% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 83.55% | 98.44% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.37% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.14% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.96% | 95.89% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.80% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.20% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.02% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.85% | 97.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.50% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.47% | 91.07% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.30% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.05% | 99.15% |
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.
| Senegalia caffra |
| PubChem | 21637143 |
| LOTUS | LTS0040038 |
| wikiData | Q104922754 |