7,11,14-Trihydroxy-18,18-dimethyl-3,8-bis(3-methylbut-2-enyl)-2,10,17-trioxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),4(9),5,7,14,16(21),19-heptaen-12-one
| Internal ID | cc8b159c-8cad-4d48-923e-4b022dd739cc |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Pyranochromenes |
| IUPAC Name | 7,11,14-trihydroxy-18,18-dimethyl-3,8-bis(3-methylbut-2-enyl)-2,10,17-trioxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),4(9),5,7,14,16(21),19-heptaen-12-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1OC3(C2(OC4=C(C3=O)C(=CC5=C4C=CC(O5)(C)C)O)CC=C(C)C)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1OC3(C2(OC4=C(C3=O)C(=CC5=C4C=CC(O5)(C)C)O)CC=C(C)C)O)O)C |
| InChI | InChI=1S/C30H32O7/c1-16(2)7-8-18-21(31)10-9-20-25(18)37-30(34)27(33)24-22(32)15-23-19(12-13-28(5,6)35-23)26(24)36-29(20,30)14-11-17(3)4/h7,9-13,15,31-32,34H,8,14H2,1-6H3 |
| InChI Key | JHRGMTAPZSUYRD-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)-2,10,17-trioxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),4(9),5,7,14,16(21),19-heptaen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/76458d90-8580-11ee-9131-33134351416b.jpg "2D Structure of 7,11,14-Trihydroxy-18,18-dimethyl-3,8-bis(3-methylbut-2-enyl)-2,10,17-trioxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),4(9),5,7,14,16(21),19-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 | 99.74% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.08% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.06% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.29% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.82% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.22% | 85.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.54% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.44% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.20% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.70% | 99.15% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.56% | 85.30% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.54% | 86.33% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 89.17% | 91.38% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 84.76% | 80.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.59% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.82% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.81% | 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.
| Sorocea guilleminiana |
| PubChem | 9983600 |
| LOTUS | LTS0060829 |
| wikiData | Q105128183 |