8,9,11-Trihydroxy-1',1',4a,4b,7,7,10a-heptamethylspiro[3,4,5,6,6a,8,9,10,10b,11-decahydrochrysene-2,3'-cyclopentane]-1-one
| Internal ID | d81f9419-1bb5-47df-83aa-61aac8afd868 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives |
| IUPAC Name | 8,9,11-trihydroxy-1',1',4a,4b,7,7,10a-heptamethylspiro[3,4,5,6,6a,8,9,10,10b,11-decahydrochrysene-2,3'-cyclopentane]-1-one |
| SMILES (Canonical) | CC1(CCC2(C1)CCC3(C(=CC(C4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)O)C2=O)C)C |
| SMILES (Isomeric) | CC1(CCC2(C1)CCC3(C(=CC(C4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)O)C2=O)C)C |
| InChI | InChI=1S/C29H46O4/c1-24(2)10-12-29(16-24)13-11-27(6)17(22(29)32)14-18(30)21-26(5)15-19(31)23(33)25(3,4)20(26)8-9-28(21,27)7/h14,18-21,23,30-31,33H,8-13,15-16H2,1-7H3 |
| InChI Key | DVSAEWSTSCPHTG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H46O4 |
| Molecular Weight | 458.70 g/mol |
| Exact Mass | 458.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of 8,9,11-Trihydroxy-1',1',4a,4b,7,7,10a-heptamethylspiro[3,4,5,6,6a,8,9,10,10b,11-decahydrochrysene-2,3'-cyclopentane]-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/8d3cd840-868a-11ee-8440-bbf39fd19a91.jpg "2D Structure of 8,9,11-Trihydroxy-1',1',4a,4b,7,7,10a-heptamethylspiro[3,4,5,6,6a,8,9,10,10b,11-decahydrochrysene-2,3'-cyclopentane]-1-one")
| 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 | 94.63% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.42% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.70% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.17% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.83% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.63% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.50% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.64% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.88% | 95.89% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.30% | 95.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.04% | 92.94% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.83% | 94.78% |
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.
| Rostrinucula dependens |
| PubChem | 162849486 |
| LOTUS | LTS0263184 |
| wikiData | Q104990316 |