(1R,2R,9S,10R,11S,13S,15S,16S,19R,27S)-2,27-dihydroxy-6,10,15,20,20-pentamethyl-8,12,21-trioxaheptacyclo[13.13.0.02,11.04,9.011,13.016,27.019,25]octacosa-3,5,23,25-tetraene-7,22-dione
| Internal ID | 2977aafd-10f9-4bac-901c-1d4c14859b95 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (1R,2R,9S,10R,11S,13S,15S,16S,19R,27S)-2,27-dihydroxy-6,10,15,20,20-pentamethyl-8,12,21-trioxaheptacyclo[13.13.0.02,11.04,9.011,13.016,27.019,25]octacosa-3,5,23,25-tetraene-7,22-dione |
| SMILES (Canonical) | CC1C2C(=CC3(C14C(O4)CC5(C3CC6(C5CCC7C(=C6)C=CC(=O)OC7(C)C)O)C)O)C=C(C(=O)O2)C |
| SMILES (Isomeric) | C[C@@H]1[C@H]2C(=C[C@@]3([C@@]14[C@@H](O4)C[C@@]5([C@H]3C[C@]6([C@H]5CC[C@@H]7C(=C6)C=CC(=O)OC7(C)C)O)C)O)C=C(C(=O)O2)C |
| InChI | InChI=1S/C30H36O7/c1-15-10-18-12-29(34)21-13-28(33)11-17-6-9-23(31)37-26(3,4)19(17)7-8-20(28)27(21,5)14-22-30(29,36-22)16(2)24(18)35-25(15)32/h6,9-12,16,19-22,24,33-34H,7-8,13-14H2,1-5H3/t16-,19-,20+,21-,22+,24+,27+,28-,29-,30+/m1/s1 |
| InChI Key | RPWSLVSSXLPIGH-REMUIGNESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H36O7 |
| Molecular Weight | 508.60 g/mol |
| Exact Mass | 508.24610348 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (1R,2R,9S,10R,11S,13S,15S,16S,19R,27S)-2,27-dihydroxy-6,10,15,20,20-pentamethyl-8,12,21-trioxaheptacyclo[13.13.0.02,11.04,9.011,13.016,27.019,25]octacosa-3,5,23,25-tetraene-7,22-dione](https://plantaedb.com/storage/docs/compounds/2023/11/663bc180-82d7-11ee-ba12-1516f2fa8516.jpg "2D Structure of (1R,2R,9S,10R,11S,13S,15S,16S,19R,27S)-2,27-dihydroxy-6,10,15,20,20-pentamethyl-8,12,21-trioxaheptacyclo[13.13.0.02,11.04,9.011,13.016,27.019,25]octacosa-3,5,23,25-tetraene-7,22-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.96% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.41% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.82% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.31% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.54% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.40% | 94.80% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.81% | 99.23% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 89.79% | 86.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.61% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.61% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.27% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.79% | 97.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.45% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.60% | 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.
| Kadsura coccinea |
| PubChem | 25180772 |
| LOTUS | LTS0165763 |
| wikiData | Q105243098 |