9-Hydroxy-2,7,7,8-tetramethyl-4-methylidene-1,2,4,5,6,6a,7,7a-octahydro-3H-cyclopropa[3,4]cyclohepta[1,2-e]inden-3-one
| Internal ID | e84f8dae-ec5f-4cee-9d43-ab08ef00a22c |
| Taxonomy | Benzenoids > Indanes > Indanones |
| IUPAC Name | (4S)-7-hydroxy-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadeca-1,6,8-trien-3-one |
| SMILES (Canonical) | CC1CC2=C(C(=C3C4C(C4(C)C)CCC(=C)C3=C2C1=O)C)O |
| SMILES (Isomeric) | C[C@H]1CC2=C(C(=C3C4C(C4(C)C)CCC(=C)C3=C2C1=O)C)O |
| InChI | InChI=1S/C20H24O2/c1-9-6-7-13-17(20(13,4)5)15-11(3)19(22)12-8-10(2)18(21)16(12)14(9)15/h10,13,17,22H,1,6-8H2,2-5H3/t10-,13?,17?/m0/s1 |
| InChI Key | BMHPRIPRPDSKRK-ITNLDZRZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O2 |
| Molecular Weight | 296.40 g/mol |
| Exact Mass | 296.177630004 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 4.50 |
| 9-Hydroxy-2,7,7,8-tetramethyl-4-methylidene-1,2,4,5,6,6a,7,7a-octahydro-3H-cyclopropa[3,4]cyclohepta[1,2-e]inden-3-one |
![2D Structure of 9-Hydroxy-2,7,7,8-tetramethyl-4-methylidene-1,2,4,5,6,6a,7,7a-octahydro-3H-cyclopropa[3,4]cyclohepta[1,2-e]inden-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/51c27260-86ac-11ee-a1f3-a1205ba827e8.jpg "2D Structure of 9-Hydroxy-2,7,7,8-tetramethyl-4-methylidene-1,2,4,5,6,6a,7,7a-octahydro-3H-cyclopropa[3,4]cyclohepta[1,2-e]inden-3-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.11% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.46% | 91.11% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 94.78% | 91.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.33% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.62% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.31% | 95.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.59% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.75% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.45% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.54% | 90.71% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.33% | 85.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.18% | 92.94% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.00% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.06% | 99.23% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.77% | 97.93% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.64% | 93.18% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.56% | 91.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.25% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.21% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.76% | 97.09% |
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.
| Jatropha curcas |
| Jatropha elliptica |
| Jatropha glandulifera |
| Jatropha gossypiifolia |
| Jatropha integerrima |
| Jatropha multifida |
| PubChem | 3035352 |
| LOTUS | LTS0140447 |
| wikiData | Q82981707 |