(1S,2S,5R,9S)-1-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-9-ol
| Internal ID | 2370b76e-80ad-4235-8e27-6a535c2cee78 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Biphenyls and derivatives |
| IUPAC Name | (1S,2S,5R,9S)-1-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-9-ol |
| SMILES (Canonical) | CC1(CC2C1CCC3(CC2(CCC3O)OC4=C(C=C(C=C4)CC=C)C5=C(C=CC(=C5)CC=C)O)C)C |
| SMILES (Isomeric) | CC1(C[C@H]2[C@H]1CCC3(C[C@]2(CC[C@@H]3O)OC4=C(C=C(C=C4)CC=C)C5=C(C=CC(=C5)CC=C)O)C)C |
| InChI | InChI=1S/C33H42O3/c1-6-8-22-10-12-28(34)24(18-22)25-19-23(9-7-2)11-13-29(25)36-33-17-15-30(35)32(5,21-33)16-14-26-27(33)20-31(26,3)4/h6-7,10-13,18-19,26-27,30,34-35H,1-2,8-9,14-17,20-21H2,3-5H3/t26-,27+,30+,32?,33+/m1/s1 |
| InChI Key | WDXDAODECHOTPZ-ANEDTCKNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H42O3 |
| Molecular Weight | 486.70 g/mol |
| Exact Mass | 486.31339520 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 8.60 |
| There are no found synonyms. |
![2D Structure of (1S,2S,5R,9S)-1-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3eb03930-84a7-11ee-b2fc-d39c53afebca.jpg "2D Structure of (1S,2S,5R,9S)-1-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-9-ol")
| 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 | 98.58% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.08% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 97.26% | 89.76% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 96.37% | 90.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.85% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.38% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.89% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.37% | 96.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.72% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.71% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.95% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.27% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.08% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.90% | 86.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.87% | 91.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.28% | 92.94% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 85.04% | 85.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.37% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.00% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.05% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.64% | 99.17% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.52% | 93.40% |
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.
| Magnolia obovata |
| PubChem | 101720550 |
| LOTUS | LTS0164530 |
| wikiData | Q105302748 |