(2R,4aS,6aR,6aR,6bS,8aR,9R,12aS,14aS,14bR)-2,4a,6a,8a,9,12a,14a-heptamethyl-10-oxo-3,4,5,6,6a,6b,7,8,9,11,12,13,14,14b-tetradecahydro-1H-picene-2-carbaldehyde
| Internal ID | 4cf53936-5469-44e7-8068-ec7d09f66e9c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (2R,4aS,6aR,6aR,6bS,8aR,9R,12aS,14aS,14bR)-2,4a,6a,8a,9,12a,14a-heptamethyl-10-oxo-3,4,5,6,6a,6b,7,8,9,11,12,13,14,14b-tetradecahydro-1H-picene-2-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H48O2/c1-20-23(32)10-13-28(5)21-9-12-30(7)24-18-25(2,19-31)14-15-26(24,3)16-17-29(30,6)22(21)8-11-27(20,28)4/h19-22,24H,8-18H2,1-7H3/t20-,21+,22-,24+,25+,26+,27+,28-,29+,30-/m0/s1 |
| InChI Key | OQAIRDOMBKASNS-DTJIXMMKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H48O2 |
| Molecular Weight | 440.70 g/mol |
| Exact Mass | 440.365430770 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 8.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.39% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.52% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.95% | 100.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.94% | 94.78% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.93% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.69% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.72% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.12% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.22% | 96.43% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.96% | 97.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.09% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.97% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.43% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.34% | 91.11% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 81.17% | 86.67% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.86% | 97.14% |
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.
| Reissantia buchananii |
| PubChem | 163011728 |
| LOTUS | LTS0105048 |
| wikiData | Q105196676 |