13,15,35,37-Tetrahydroxy-3,25-bis[(3-hydroxy-4,5-dimethoxyoxan-2-yl)oxy]-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.119,23]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione
| Internal ID | 56dcffb9-926c-40c1-ad5a-e0ab427b6912 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 13,15,35,37-tetrahydroxy-3,25-bis[(3-hydroxy-4,5-dimethoxyoxan-2-yl)oxy]-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.119,23]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione |
| SMILES (Canonical) | CC1CC(CC(O1)CCC(C)C(C(C)C2CC(CC(C(C(CC3CC=CC(O3)CC(CC=C(C=CC(=O)OC(CC(CC(C(C(CC4CC=CC(O4)CC(CC=C(C=CC(=O)O2)C)OC5C(C(C(CO5)OC)OC)O)OC)C)O)O)C(C)C(C(C)CCC6CC(CC(O6)C)OC)O)C)OC7C(C(C(CO7)OC)OC)O)OC)C)O)O)O)OC |
| SMILES (Isomeric) | CC1CC(CC(O1)CCC(C)C(C(C)C2CC(CC(C(C(CC3CC=CC(O3)CC(CC=C(C=CC(=O)OC(CC(CC(C(C(CC4CC=CC(O4)CC(CC=C(C=CC(=O)O2)C)OC5C(C(C(CO5)OC)OC)O)OC)C)O)O)C(C)C(C(C)CCC6CC(CC(O6)C)OC)O)C)OC7C(C(C(CO7)OC)OC)O)OC)C)O)O)O)OC |
| InChI | InChI=1S/C90H152O28/c1-51-25-31-69(115-89-85(99)87(107-17)79(105-15)49-109-89)43-63-21-19-23-65(113-63)47-75(103-13)58(8)74(94)40-62(92)42-78(60(10)84(98)54(4)30-34-68-46-72(102-12)38-56(6)112-68)118-82(96)36-28-52(2)26-32-70(116-90-86(100)88(108-18)80(106-16)50-110-90)44-64-22-20-24-66(114-64)48-76(104-14)57(7)73(93)39-61(91)41-77(117-81(95)35-27-51)59(9)83(97)53(3)29-33-67-45-71(101-11)37-55(5)111-67/h19-22,25-28,35-36,53-80,83-94,97-100H,23-24,29-34,37-50H2,1-18H3 |
| InChI Key | KBYZXUKIPLHREO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C90H152O28 |
| Molecular Weight | 1682.10 g/mol |
| Exact Mass | 1681.04701419 g/mol |
| Topological Polar Surface Area (TPSA) | 362.00 Ų |
| XlogP | 8.70 |
| There are no found synonyms. |
![2D Structure of 13,15,35,37-Tetrahydroxy-3,25-bis[(3-hydroxy-4,5-dimethoxyoxan-2-yl)oxy]-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.119,23]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione](https://plantaedb.com/storage/docs/compounds/2023/11/ef056180-85f6-11ee-b9a9-85b2109c6dde.jpg "2D Structure of 13,15,35,37-Tetrahydroxy-3,25-bis[(3-hydroxy-4,5-dimethoxyoxan-2-yl)oxy]-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.119,23]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.71% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.53% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.40% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.85% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.73% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.83% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.46% | 90.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.30% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.50% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.89% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.65% | 97.79% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.45% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.77% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.72% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.39% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.56% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.68% | 96.47% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.75% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.40% | 95.89% |
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 | 162873891 |
| LOTUS | LTS0091602 |
| wikiData | Q104170134 |