(6S,14R,18S)-6,10,10,14,15,20-hexamethyl-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-20-ol
| Internal ID | 9d574e45-fa17-4624-8189-edddadd354d3 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (6S,14R,18S)-6,10,10,14,15,20-hexamethyl-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-20-ol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3(C2CCC4C3(CCC5C46CCC5C(OC6)(C)O)C)C)C)C |
| SMILES (Isomeric) | C[C@]12CCCC(C1CC[C@@]3(C2CCC4C3(CC[C@@H]5C46CCC5C(OC6)(C)O)C)C)(C)C |
| InChI | InChI=1S/C29H48O2/c1-24(2)13-7-14-25(3)21(24)12-16-26(4)22(25)8-9-23-27(26,5)15-10-20-19-11-17-29(20,23)18-31-28(19,6)30/h19-23,30H,7-18H2,1-6H3/t19?,20-,21?,22?,23?,25-,26+,27?,28?,29?/m0/s1 |
| InChI Key | IYQQDCQCRWKPQB-COHQKUCJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H48O2 |
| Molecular Weight | 428.70 g/mol |
| Exact Mass | 428.365430770 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 8.50 |
| There are no found synonyms. |
![2D Structure of (6S,14R,18S)-6,10,10,14,15,20-hexamethyl-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-20-ol](https://plantaedb.com/storage/docs/compounds/2023/11/d21562f0-8171-11ee-9967-1ba4a7cace27.jpg "2D Structure of (6S,14R,18S)-6,10,10,14,15,20-hexamethyl-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-20-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.59% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.84% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.67% | 82.69% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 87.60% | 98.99% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.04% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.98% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.84% | 100.00% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 86.47% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.98% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.73% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.61% | 96.38% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.41% | 91.49% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 82.36% | 98.46% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.35% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.09% | 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.
| Adiantum capillus-veneris |
| Adiantum pedatum |
| Lophosoria quadripinnata |
| Salvia limbata |
| PubChem | 5316485 |
| LOTUS | LTS0215814 |
| wikiData | Q105375377 |