4',8,9-Trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-(4-methylpent-2-en-2-yl)spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
| Internal ID | 7a3a0394-e7ea-4fe3-8b11-36e7cebe7056 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues > Milbemycins |
| IUPAC Name | 4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-(4-methylpent-2-en-2-yl)spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H56O9/c1-21(2)14-24(5)32-26(7)31(39)19-36(46-32)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27(20-38)37(42)30(35(41)44-29)16-25(6)33(43-8)34(37)40/h9-12,14,16,21-22,26,28-34,38-40,42H,13,15,17-20H2,1-8H3 |
| InChI Key | GNKPRZFHCQVTTB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H56O9 |
| Molecular Weight | 644.80 g/mol |
| Exact Mass | 644.39243336 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 4',8,9-Trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-(4-methylpent-2-en-2-yl)spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/d5fecc70-84c1-11ee-ae35-b148ab65a246.jpg "2D Structure of 4',8,9-Trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-(4-methylpent-2-en-2-yl)spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.15% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.07% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.59% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.25% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.96% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.34% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.73% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.53% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.73% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.05% | 97.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.46% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.37% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.16% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.93% | 89.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.18% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.05% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.55% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.81% | 99.23% |
| CHEMBL3837 | P07711 | Cathepsin L | 81.90% | 96.61% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.70% | 97.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.47% | 90.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.52% | 95.93% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.46% | 97.50% |
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.
| There are no matching plants. |
| PubChem | 162881862 |
| LOTUS | LTS0203828 |
| wikiData | Q104167317 |