5-Methoxy-4',5',5',6,10,12-hexamethylspiro[14-oxatetracyclo[9.3.2.01,10.02,7]hexadeca-2(7),3,5-triene-13,2'-oxolane]-3'-ol
| Internal ID | 0eb7c435-d48f-45a4-885a-8de1c2b7a451 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 5-methoxy-4',5',5',6,10,12-hexamethylspiro[14-oxatetracyclo[9.3.2.01,10.02,7]hexadeca-2(7),3,5-triene-13,2'-oxolane]-3'-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H36O4/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/h8-9,15-16,18,21,26H,10-13H2,1-7H3 |
| InChI Key | QEVQGAGSLSJTLO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H36O4 |
| Molecular Weight | 400.50 g/mol |
| Exact Mass | 400.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 5-Methoxy-4',5',5',6,10,12-hexamethylspiro[14-oxatetracyclo[9.3.2.01,10.02,7]hexadeca-2(7),3,5-triene-13,2'-oxolane]-3'-ol](https://plantaedb.com/storage/docs/compounds/2023/11/599ebeb0-8599-11ee-a4e8-757b2f374b3b.jpg "2D Structure of 5-Methoxy-4',5',5',6,10,12-hexamethylspiro[14-oxatetracyclo[9.3.2.01,10.02,7]hexadeca-2(7),3,5-triene-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 | 94.96% | 96.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 93.43% | 89.05% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.27% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.66% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.00% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.86% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.73% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.44% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.18% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.18% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.70% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.30% | 97.14% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.85% | 96.43% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.03% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.81% | 94.75% |
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 | 73880596 |
| LOTUS | LTS0123927 |
| wikiData | Q104195752 |