Abscisterol A
| Internal ID | 5c16142a-ccbf-443c-b2a3-41217f25894b |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (1S,2S,5S,6E,9S,13R,14R,15S)-5-methyl-6-(5-methyl-4-methylidenehexylidene)-19-oxapentacyclo[12.3.2.01,13.02,10.05,9]nonadec-10-en-15-ol |
| SMILES (Canonical) | CC(C)C(=C)CCC=C1CCC2C1(CCC3C2=CCC4C35CCC(C4OC5)O)C |
| SMILES (Isomeric) | CC(C)C(=C)CC/C=C/1\CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@]35CC[C@@H]([C@@H]4OC5)O)C |
| InChI | InChI=1S/C27H40O2/c1-17(2)18(3)6-5-7-19-8-10-21-20-9-11-23-25-24(28)13-15-27(23,16-29-25)22(20)12-14-26(19,21)4/h7,9,17,21-25,28H,3,5-6,8,10-16H2,1-2,4H3/b19-7+/t21-,22-,23-,24-,25+,26+,27-/m0/s1 |
| InChI Key | GVNHJLFYRNHHBJ-JGABVDKBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H40O2 |
| Molecular Weight | 396.60 g/mol |
| Exact Mass | 396.302830514 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.51% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.00% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.73% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.60% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.12% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.64% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.43% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.74% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.34% | 95.89% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.26% | 89.05% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.57% | 90.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.80% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.24% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.01% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.86% | 86.33% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.63% | 83.57% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.45% | 90.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.45% | 90.24% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.39% | 95.93% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 81.21% | 93.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.97% | 82.69% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.81% | 91.07% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.69% | 96.61% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.56% | 95.56% |
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 | 139584780 |
| LOTUS | LTS0078078 |
| wikiData | Q105255785 |