Phyllactone A
| Internal ID | 05a226d1-f873-42f1-ad49-ef59f9009188 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids > Scalarane sesterterpenoids |
| IUPAC Name | [(3R,4R,5aS,5bR,7aS,8S,11aS,11bR,13R,13aS)-8-ethyl-4-hydroxy-3,5b,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-13-yl] 3-hydroxypentanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H50O6/c1-8-19(33)15-25(35)38-24-17-22-30(5)13-10-12-29(4,9-2)21(30)11-14-31(22,6)23-16-20(34)26-18(3)37-28(36)27(26)32(23,24)7/h18-24,33-34H,8-17H2,1-7H3/t18-,19?,20-,21+,22-,23+,24-,29+,30+,31-,32-/m1/s1 |
| InChI Key | ASNLHWDCHRXQBN-CSYAWAKVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C32H50O6 |
| Molecular Weight | 530.70 g/mol |
| Exact Mass | 530.36073931 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 6.40 |
| Phyllactone B |
| 145613-54-3 |
| D(17a)-Homopregn-17-ene-17a-carboxylic acid, 4-ethyl-16,20-dihydroxy-12-((3-hydroxy-1-oxopentyl)oxy)-4,8-dimethyl-, gamma-lactone, (4beta,5alpha,12beta,16alpha,20R)- |
| CHEMBL450249 |
| DTXSID60932656 |
| [(3R,4R,5aS,5bR,7aS,8S,11aS,11bR,13R,13aS)-8-ethyl-4-hydroxy-3,5b,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-13-yl] 3-hydroxypentanoate |
| 8-Ethyl-4-hydroxy-3,5b,8,11a,13a-pentamethyl-1-oxo-1,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydrochryseno[1,2-c]furan-13-yl 3-hydroxypentanoate |
| 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 | 98.41% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.66% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.42% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.36% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.61% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.48% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.84% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.47% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.75% | 89.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.30% | 98.10% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.87% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.53% | 97.14% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.45% | 90.08% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.90% | 91.07% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.83% | 98.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.02% | 91.19% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 82.95% | 85.83% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.92% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.54% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.96% | 86.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.52% | 96.61% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.86% | 98.75% |
| CHEMBL5028 | O14672 | ADAM10 | 80.58% | 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 | 3081879 |
| LOTUS | LTS0080344 |
| wikiData | Q82908375 |