7,11,26-Trihydroxy-16,22-dimethoxy-8,14,14,19,25-pentamethyl-2,17-dioxaheptacyclo[16.12.0.03,16.04,13.05,10.020,29.023,28]triaconta-1(18),4,6,8,10,12,19,21,23(28),24,26,29-dodecaen-15-one
| Internal ID | a04063fb-c779-4bf1-a5c1-113f4839b440 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Phenanthrols |
| IUPAC Name | 7,11,26-trihydroxy-16,22-dimethoxy-8,14,14,19,25-pentamethyl-2,17-dioxaheptacyclo[16.12.0.03,16.04,13.05,10.020,29.023,28]triaconta-1(18),4,6,8,10,12,19,21,23(28),24,26,29-dodecaen-15-one |
| SMILES (Canonical) | CC1=CC2=C(C=C1O)C3=CC4=C(C(=C3C=C2OC)C)OC5(C(O4)C6=C7C=C(C(=CC7=C(C=C6C(C5=O)(C)C)O)C)O)OC |
| SMILES (Isomeric) | CC1=CC2=C(C=C1O)C3=CC4=C(C(=C3C=C2OC)C)OC5(C(O4)C6=C7C=C(C(=CC7=C(C=C6C(C5=O)(C)C)O)C)O)OC |
| InChI | InChI=1S/C35H32O8/c1-15-8-21-23(11-26(15)37)30-24(14-27(21)38)34(4,5)33(39)35(41-7)32(30)42-29-13-20-18(17(3)31(29)43-35)12-28(40-6)22-9-16(2)25(36)10-19(20)22/h8-14,32,36-38H,1-7H3 |
| InChI Key | VUGWMUHXJGIMLL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H32O8 |
| Molecular Weight | 580.60 g/mol |
| Exact Mass | 580.20971797 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 7.20 |
| There are no found synonyms. |
![2D Structure of 7,11,26-Trihydroxy-16,22-dimethoxy-8,14,14,19,25-pentamethyl-2,17-dioxaheptacyclo[16.12.0.03,16.04,13.05,10.020,29.023,28]triaconta-1(18),4,6,8,10,12,19,21,23(28),24,26,29-dodecaen-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/0bdb4ee0-85cd-11ee-8347-41db54bc12c4.jpg "2D Structure of 7,11,26-Trihydroxy-16,22-dimethoxy-8,14,14,19,25-pentamethyl-2,17-dioxaheptacyclo[16.12.0.03,16.04,13.05,10.020,29.023,28]triaconta-1(18),4,6,8,10,12,19,21,23(28),24,26,29-dodecaen-15-one")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.17% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.27% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.86% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.84% | 95.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 94.57% | 91.79% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.04% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.59% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.62% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.79% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.31% | 92.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 88.42% | 82.38% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.37% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.42% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.29% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.07% | 92.94% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.52% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.59% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.47% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.77% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.77% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.60% | 98.75% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.32% | 96.86% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.66% | 96.43% |
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.
| Actephila excelsa |
| PubChem | 85117354 |
| LOTUS | LTS0073548 |
| wikiData | Q105297220 |