7,11,14-Trihydroxy-18,18-dimethyl-3,8-bis(3-methylbut-2-enyl)-2,10,19-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),4(9),5,7,14,16,20-heptaen-12-one
| Internal ID | 765ff452-d3c2-4844-a42d-202742077ca2 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Pyranochromenes |
| IUPAC Name | 7,11,14-trihydroxy-18,18-dimethyl-3,8-bis(3-methylbut-2-enyl)-2,10,19-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),4(9),5,7,14,16,20-heptaen-12-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1OC3(C2(OC4=C(C3=O)C(=C5C=CC(OC5=C4)(C)C)O)CC=C(C)C)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1OC3(C2(OC4=C(C3=O)C(=C5C=CC(OC5=C4)(C)C)O)CC=C(C)C)O)O)C |
| InChI | InChI=1S/C30H32O7/c1-16(2)7-8-18-21(31)10-9-20-26(18)37-30(34)27(33)24-23(36-29(20,30)14-11-17(3)4)15-22-19(25(24)32)12-13-28(5,6)35-22/h7,9-13,15,31-32,34H,8,14H2,1-6H3 |
| InChI Key | BSEWSLOUHTTXHH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H32O7 |
| Molecular Weight | 504.60 g/mol |
| Exact Mass | 504.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 7,11,14-Trihydroxy-18,18-dimethyl-3,8-bis(3-methylbut-2-enyl)-2,10,19-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),4(9),5,7,14,16,20-heptaen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/510b6a10-8682-11ee-bbb5-abc94d89d86e.jpg "2D Structure of 7,11,14-Trihydroxy-18,18-dimethyl-3,8-bis(3-methylbut-2-enyl)-2,10,19-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),4(9),5,7,14,16,20-heptaen-12-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 | 99.72% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.97% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.90% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.47% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.50% | 94.73% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.10% | 85.30% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.89% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.54% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.27% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.69% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.31% | 95.56% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 84.59% | 91.38% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 83.87% | 80.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.56% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.80% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.06% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.14% | 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.
| Sorocea guilleminiana |
| PubChem | 75069674 |
| LOTUS | LTS0205686 |
| wikiData | Q104945213 |