Formipinol
| Internal ID | 2a90b2bb-343c-4bbf-8031-c576b1b8e9fe |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 1-O-[(3R,5R,10S,13R,14R,15S,17R)-15-hydroxy-17-[(2R)-1-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 5-O-methyl (3S)-3-hydroxy-3-methylpentanedioate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H60O7/c1-23(2)11-10-12-24(22-38)27-19-29(39)37(8)26-13-14-28-33(3,4)30(44-32(41)21-34(5,42)20-31(40)43-9)16-17-35(28,6)25(26)15-18-36(27,37)7/h11,24,27-30,38-39,42H,10,12-22H2,1-9H3/t24-,27+,28-,29-,30+,34-,35+,36+,37+/m0/s1 |
| InChI Key | CHLVGVZUMKSZKD-VZLXLCGUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H60O7 |
| Molecular Weight | 616.90 g/mol |
| Exact Mass | 616.43390425 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 6.10 |
| 1-O-[(3R,5R,10S,13R,14R,15S,17R)-15-hydroxy-17-[(2R)-1-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 5-O-methyl (3S)-3-hydroxy-3-methylpentanedioate |
| (2S,5R,7R,11R,12S,14R,15R)-12-Hydroxy-14-((2R)-1-hydroxy-6-methylhept-5-en-2-yl)-2,6,6,11,15-pentamethyltetracyclo(8.7.0.0,.0,)heptadec-1(10)-en-5-yl 1-methyl (3S)-3-hydroxy-3-methylpentanedioic acid |
| (2S,5R,7R,11R,12S,14R,15R)-12-Hydroxy-14-[(2R)-1-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0,.0,]heptadec-1(10)-en-5-yl 1-methyl (3S)-3-hydroxy-3-methylpentanedioic acid |
| 1-O-((3R,5R,10S,13R,14R,15S,17R)-15-hydroxy-17-((2R)-1-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-yl) 5-O-methyl (3S)-3-hydroxy-3-methylpentanedioate |
| RefChem:141281 |
| CHEBI:206988 |
| 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 | 98.00% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.76% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.22% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.15% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.20% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.40% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.27% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.37% | 92.62% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.97% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.52% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.68% | 99.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.44% | 97.79% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.26% | 94.33% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 87.10% | 92.95% |
| CHEMBL5028 | O14672 | ADAM10 | 87.00% | 97.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.92% | 91.24% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.49% | 97.14% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.16% | 95.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.00% | 95.93% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 85.81% | 98.57% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.22% | 96.90% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.20% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.11% | 91.07% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.10% | 89.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.89% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.78% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.35% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.24% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.76% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.51% | 96.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.50% | 95.89% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 82.50% | 97.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.40% | 95.56% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 81.58% | 95.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.31% | 82.50% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 80.77% | 95.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.63% | 96.47% |
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 | 146682770 |
| LOTUS | LTS0052848 |
| wikiData | Q104959007 |