(2S,3E,6S,7S,10E,14R,21S,26Z)-2,17,30,32,35-pentahydroxy-4,11,27-trimethyl-14-prop-1-en-2-ylpentacyclo[27.2.2.16,23.115,19.07,21]pentatriaconta-1(32),3,10,15,17,19(35),23(34),26,29(33),30-decaene-7-carbaldehyde
| Internal ID | 4efabfd9-664f-4133-835c-3fe4f75f5dfc |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids |
| IUPAC Name | (2S,3E,6S,7S,10E,14R,21S,26Z)-2,17,30,32,35-pentahydroxy-4,11,27-trimethyl-14-prop-1-en-2-ylpentacyclo[27.2.2.16,23.115,19.07,21]pentatriaconta-1(32),3,10,15,17,19(35),23(34),26,29(33),30-decaene-7-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H52O6/c1-25(2)35-12-11-26(3)9-7-13-42(24-43)32-15-28(5)16-39(46)37-23-38(45)30(21-40(37)47)14-27(4)8-6-10-29(17-32)18-33(42)19-31-20-34(44)22-36(35)41(31)48/h8-9,16-17,20-24,32-33,35,39,44-48H,1,6-7,10-15,18-19H2,2-5H3/b26-9+,27-8-,28-16+/t32-,33-,35+,39-,42+/m0/s1 |
| InChI Key | SUTFORWDNUIXFT-XJDSETRISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H52O6 |
| Molecular Weight | 652.90 g/mol |
| Exact Mass | 652.37638937 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 7.40 |
| There are no found synonyms. |
![2D Structure of (2S,3E,6S,7S,10E,14R,21S,26Z)-2,17,30,32,35-pentahydroxy-4,11,27-trimethyl-14-prop-1-en-2-ylpentacyclo[27.2.2.16,23.115,19.07,21]pentatriaconta-1(32),3,10,15,17,19(35),23(34),26,29(33),30-decaene-7-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/65656b90-859d-11ee-8387-f3eb792ba19e.jpg "2D Structure of (2S,3E,6S,7S,10E,14R,21S,26Z)-2,17,30,32,35-pentahydroxy-4,11,27-trimethyl-14-prop-1-en-2-ylpentacyclo[27.2.2.16,23.115,19.07,21]pentatriaconta-1(32),3,10,15,17,19(35),23(34),26,29(33),30-decaene-7-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.90% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.58% | 91.11% |
| CHEMBL233 | P35372 | Mu opioid receptor | 98.36% | 97.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.17% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.83% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.25% | 96.09% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 92.16% | 91.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 91.44% | 95.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.58% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.40% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.70% | 90.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.55% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.90% | 89.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.55% | 94.62% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.87% | 99.35% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.74% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.01% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.48% | 86.33% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.97% | 97.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.91% | 93.03% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.99% | 91.07% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.67% | 85.11% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.59% | 91.71% |
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.
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| There are no matching plants. |
| PubChem | 162888913 |
| LOTUS | LTS0215025 |
| wikiData | Q105261420 |