methyl (4aS,4bS,6aS,7S,8R,9R,10S,10aS,10bR,12aS)-4a,9,10-trihydroxy-8-[(1R)-1-hydroxyethyl]-8-(hydroxymethyl)-7-(3-methoxy-3-oxopropyl)-3,6a,10b,12a-tetramethyl-1,4,5,6,7,9,10,10a,11,12-decahydrochrysene-4b-carboxylate
| Internal ID | ce54eb0e-3fd7-418e-998f-b02524f9a4e3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | methyl (4aS,4bS,6aS,7S,8R,9R,10S,10aS,10bR,12aS)-4a,9,10-trihydroxy-8-[(1R)-1-hydroxyethyl]-8-(hydroxymethyl)-7-(3-methoxy-3-oxopropyl)-3,6a,10b,12a-tetramethyl-1,4,5,6,7,9,10,10a,11,12-decahydrochrysene-4b-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H50O9/c1-18-10-11-26(3)12-14-28(5)23-22(35)24(36)29(17-32,19(2)33)20(8-9-21(34)39-6)27(23,4)13-15-30(28,25(37)40-7)31(26,38)16-18/h10,19-20,22-24,32-33,35-36,38H,8-9,11-17H2,1-7H3/t19-,20+,22+,23+,24+,26-,27+,28-,29-,30+,31+/m1/s1 |
| InChI Key | RBKYLTMXHKKOOD-ISGLCVLNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H50O9 |
| Molecular Weight | 566.70 g/mol |
| Exact Mass | 566.34548317 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of methyl (4aS,4bS,6aS,7S,8R,9R,10S,10aS,10bR,12aS)-4a,9,10-trihydroxy-8-[(1R)-1-hydroxyethyl]-8-(hydroxymethyl)-7-(3-methoxy-3-oxopropyl)-3,6a,10b,12a-tetramethyl-1,4,5,6,7,9,10,10a,11,12-decahydrochrysene-4b-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/31e82e50-869e-11ee-bda3-dfcd560d79b4.jpg "2D Structure of methyl (4aS,4bS,6aS,7S,8R,9R,10S,10aS,10bR,12aS)-4a,9,10-trihydroxy-8-[(1R)-1-hydroxyethyl]-8-(hydroxymethyl)-7-(3-methoxy-3-oxopropyl)-3,6a,10b,12a-tetramethyl-1,4,5,6,7,9,10,10a,11,12-decahydrochrysene-4b-carboxylate")
| 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 | 99.20% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.81% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.99% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.46% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.94% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.15% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.80% | 96.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.27% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.04% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.84% | 95.56% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.73% | 91.24% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.24% | 91.07% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.21% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.90% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.54% | 97.79% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 87.41% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.40% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.06% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.21% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.41% | 90.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.67% | 98.75% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.97% | 94.33% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 81.97% | 94.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.53% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.53% | 96.77% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.37% | 91.03% |
| CHEMBL5028 | O14672 | ADAM10 | 80.90% | 97.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.83% | 95.71% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 80.51% | 96.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.49% | 93.03% |
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.
| Galphimia glauca |
| PubChem | 44566235 |
| LOTUS | LTS0126774 |
| wikiData | Q105233165 |