6beta,11alpha-Dihydroxy-23-demethyl-gorgosta-2,4-dien-1-one
| Internal ID | e9a15b5e-9bd0-470d-9e53-4c3901715621 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Gorgostanes and derivatives |
| IUPAC Name | (6R,8S,9S,10R,11R,13R,14S,17R)-6,11-dihydroxy-10,13-dimethyl-17-[(1R)-1-[(1R,2R)-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-one |
| SMILES (Canonical) | CC(C)C(C)C1CC1C(C)C2CCC3C2(CC(C4C3CC(C5=CC=CC(=O)C45C)O)O)C |
| SMILES (Isomeric) | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2C[C@H](C4=CC=CC(=O)[C@]34C)O)O)C)[C@H]5C[C@@H]5[C@H](C)C(C)C |
| InChI | InChI=1S/C29H44O3/c1-15(2)16(3)18-12-19(18)17(4)21-10-11-22-20-13-24(30)23-8-7-9-26(32)29(23,6)27(20)25(31)14-28(21,22)5/h7-9,15-22,24-25,27,30-31H,10-14H2,1-6H3/t16-,17-,18-,19-,20+,21-,22+,24-,25-,27-,28-,29-/m1/s1 |
| InChI Key | PHSZAZSSTVAOCG-LGVZSMBISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H44O3 |
| Molecular Weight | 440.70 g/mol |
| Exact Mass | 440.32904526 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 6.10 |
| 6beta,11alpha-dihydroxy-23-demethyl-gorgosta-2,4-dien-1-one |
| LMST01060016 |
| 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 | 97.48% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.31% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.21% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.17% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.93% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.43% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.22% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.90% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.24% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.74% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.46% | 96.43% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.24% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.30% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.91% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.24% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.60% | 95.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.57% | 90.71% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 81.70% | 92.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.92% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.32% | 91.07% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.21% | 90.00% |
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 | 16731463 |
| LOTUS | LTS0077697 |
| wikiData | Q76511498 |