7,13-Diacetylwallifoliol
| Internal ID | b05bc437-ddce-493f-acab-bfe117a6ca30 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | [(1S,2S,3R,4S,7R,9S,10S,11S,14S)-4,9,14-triacetyloxy-11-hydroxy-10,13,16,16-tetramethyl-18-oxo-6,17-dioxapentacyclo[9.4.3.01,12.03,10.04,7]octadec-12-en-2-yl] benzoate |
| SMILES (Canonical) | CC1=C2C3(CC1OC(=O)C)C(C4C(C2(C(=O)OC3(C)C)O)(C(CC5C4(CO5)OC(=O)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6 |
| SMILES (Isomeric) | CC1=C2[C@@]3(C[C@@H]1OC(=O)C)[C@H]([C@H]4[C@]([C@@]2(C(=O)OC3(C)C)O)([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6 |
| InChI | InChI=1S/C33H38O12/c1-16-21(41-17(2)34)14-31-24(16)33(39,28(38)45-29(31,5)6)30(7)22(42-18(3)35)13-23-32(15-40-23,44-19(4)36)25(30)26(31)43-27(37)20-11-9-8-10-12-20/h8-12,21-23,25-26,39H,13-15H2,1-7H3/t21-,22-,23+,25-,26-,30+,31-,32-,33+/m0/s1 |
| InChI Key | VNZAXYQORLDPNX-FXVZGFPASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C33H38O12 |
| Molecular Weight | 626.60 g/mol |
| Exact Mass | 626.23632664 g/mol |
| Topological Polar Surface Area (TPSA) | 161.00 Ų |
| XlogP | 1.80 |
| CHEMBL447125 |
| 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 | 97.45% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.77% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.19% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.34% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.72% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.87% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.62% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.18% | 97.14% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 90.13% | 81.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.69% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.76% | 89.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.91% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.48% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.44% | 90.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 86.08% | 83.00% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 84.39% | 89.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.96% | 91.19% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 83.82% | 87.67% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.58% | 97.79% |
| CHEMBL5028 | O14672 | ADAM10 | 82.34% | 97.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.46% | 94.08% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.40% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.17% | 98.75% |
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.
| Taxus wallichiana |
| PubChem | 21603522 |
| LOTUS | LTS0136652 |
| wikiData | Q105290032 |