(1R,2S,5S,13S,14R,17R,18S,21S,26S,28S)-10-hydroxy-1,5,14,18,22,22,26-heptamethyl-27-oxaheptacyclo[15.13.0.02,14.05,13.06,11.018,28.021,26]triaconta-6,8,10-triene-7-carbaldehyde
| Internal ID | 4390c4e1-4e40-4288-93ff-38d32d96cd61 |
| Taxonomy | Benzenoids > Fluorenes |
| IUPAC Name | (1R,2S,5S,13S,14R,17R,18S,21S,26S,28S)-10-hydroxy-1,5,14,18,22,22,26-heptamethyl-27-oxaheptacyclo[15.13.0.02,14.05,13.06,11.018,28.021,26]triaconta-6,8,10-triene-7-carbaldehyde |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3(C4CCC5(C(C4(CCC3O2)C)CCC6(C5CC7=C(C=CC(=C76)C=O)O)C)C)C)C)C |
| SMILES (Isomeric) | C[C@]12CC[C@H]3[C@]([C@@H]1CC[C@@]4([C@@H]2CC[C@]5([C@H]4CC6=C(C=CC(=C65)C=O)O)C)C)(CC[C@@H]7[C@@](O3)(CCCC7(C)C)C)C |
| InChI | InChI=1S/C37H54O3/c1-32(2)15-8-16-37(7)26(32)11-18-35(5)28-12-17-34(4)27(33(28,3)20-14-30(35)40-37)13-19-36(6)29(34)21-24-25(39)10-9-23(22-38)31(24)36/h9-10,22,26-30,39H,8,11-21H2,1-7H3/t26-,27+,28+,29-,30-,33+,34+,35-,36-,37-/m0/s1 |
| InChI Key | ZQBCRXQIMPQFBF-RUIJFDDTSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C37H54O3 |
| Molecular Weight | 546.80 g/mol |
| Exact Mass | 546.40729558 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 9.70 |
| BDBM50421040 |
![2D Structure of (1R,2S,5S,13S,14R,17R,18S,21S,26S,28S)-10-hydroxy-1,5,14,18,22,22,26-heptamethyl-27-oxaheptacyclo[15.13.0.02,14.05,13.06,11.018,28.021,26]triaconta-6,8,10-triene-7-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/afa8d680-8534-11ee-8ee9-b7ba2b2b13c4.jpg "2D Structure of (1R,2S,5S,13S,14R,17R,18S,21S,26S,28S)-10-hydroxy-1,5,14,18,22,22,26-heptamethyl-27-oxaheptacyclo[15.13.0.02,14.05,13.06,11.018,28.021,26]triaconta-6,8,10-triene-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.71% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.32% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.96% | 95.56% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 94.10% | 98.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.54% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.19% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.26% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.38% | 95.89% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.28% | 85.30% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.27% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.94% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.68% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.73% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.07% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.68% | 99.23% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.82% | 97.93% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.70% | 93.40% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.26% | 91.19% |
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 | 66553579 |
| LOTUS | LTS0067507 |
| wikiData | Q105381369 |