(1R,3'R,4'S,11R,12S,13S)-5-methoxy-4',5',5',6,10,12-hexamethylspiro[14-oxatetracyclo[9.3.2.01,10.02,7]hexadeca-2(7),3,5,8-tetraene-13,2'-oxolane]-3'-ol
| Internal ID | b1cbca51-0274-4cb2-a9a6-97d02cf952d8 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (1R,3'R,4'S,11R,12S,13S)-5-methoxy-4',5',5',6,10,12-hexamethylspiro[14-oxatetracyclo[9.3.2.01,10.02,7]hexadeca-2(7),3,5,8-tetraene-13,2'-oxolane]-3'-ol |
| SMILES (Canonical) | CC1C2CCC3(C2(C=CC4=C3C=CC(=C4C)OC)C)OC15C(C(C(O5)(C)C)C)O |
| SMILES (Isomeric) | C[C@H]1[C@H]2CC[C@]3(C2(C=CC4=C3C=CC(=C4C)OC)C)O[C@]15[C@@H]([C@@H](C(O5)(C)C)C)O |
| InChI | InChI=1S/C25H34O4/c1-14-17-10-12-23(6)18-11-13-24(23,19(17)8-9-20(14)27-7)29-25(15(18)2)21(26)16(3)22(4,5)28-25/h8-10,12,15-16,18,21,26H,11,13H2,1-7H3/t15-,16-,18+,21+,23?,24-,25-/m0/s1 |
| InChI Key | QJEDIZUTQZCCNK-LCGJBHGNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H34O4 |
| Molecular Weight | 398.50 g/mol |
| Exact Mass | 398.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of (1R,3'R,4'S,11R,12S,13S)-5-methoxy-4',5',5',6,10,12-hexamethylspiro[14-oxatetracyclo[9.3.2.01,10.02,7]hexadeca-2(7),3,5,8-tetraene-13,2'-oxolane]-3'-ol](https://plantaedb.com/storage/docs/compounds/2023/11/23a49e00-8537-11ee-a1ef-bbc9451630f7.jpg "2D Structure of (1R,3'R,4'S,11R,12S,13S)-5-methoxy-4',5',5',6,10,12-hexamethylspiro[14-oxatetracyclo[9.3.2.01,10.02,7]hexadeca-2(7),3,5,8-tetraene-13,2'-oxolane]-3'-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.79% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.02% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.01% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.09% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.44% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.25% | 96.43% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.20% | 89.05% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.05% | 97.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.88% | 92.94% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.04% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.77% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.52% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.90% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.36% | 93.99% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 82.26% | 95.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.98% | 89.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.79% | 100.00% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 163186004 |
| LOTUS | LTS0052970 |
| wikiData | Q105222589 |