(12S)-3,10,17-trihydroxy-7,7,21,21-tetramethyl-12-prop-1-en-2-yl-8,20,26-trioxahexacyclo[12.12.0.02,11.04,9.016,25.019,24]hexacosa-1(14),2(11),3,5,9,16(25),17,19(24),22-nonaen-15-one
| Internal ID | 4981c82b-d3e9-41d6-a216-088ddebc514d |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
| IUPAC Name | (12S)-3,10,17-trihydroxy-7,7,21,21-tetramethyl-12-prop-1-en-2-yl-8,20,26-trioxahexacyclo[12.12.0.02,11.04,9.016,25.019,24]hexacosa-1(14),2(11),3,5,9,16(25),17,19(24),22-nonaen-15-one |
| SMILES (Canonical) | CC(=C)C1CC2=C(C3=C1C(=C4C(=C3O)C=CC(O4)(C)C)O)OC5=C(C2=O)C(=CC6=C5C=CC(O6)(C)C)O |
| SMILES (Isomeric) | CC(=C)[C@@H]1CC2=C(C3=C1C(=C4C(=C3O)C=CC(O4)(C)C)O)OC5=C(C2=O)C(=CC6=C5C=CC(O6)(C)C)O |
| InChI | InChI=1S/C30H28O7/c1-13(2)16-11-17-24(33)21-18(31)12-19-14(7-9-29(3,4)36-19)26(21)35-27(17)22-20(16)25(34)28-15(23(22)32)8-10-30(5,6)37-28/h7-10,12,16,31-32,34H,1,11H2,2-6H3/t16-/m0/s1 |
| InChI Key | JVLAUHJNDLMVDW-INIZCTEOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H28O7 |
| Molecular Weight | 500.50 g/mol |
| Exact Mass | 500.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of (12S)-3,10,17-trihydroxy-7,7,21,21-tetramethyl-12-prop-1-en-2-yl-8,20,26-trioxahexacyclo[12.12.0.02,11.04,9.016,25.019,24]hexacosa-1(14),2(11),3,5,9,16(25),17,19(24),22-nonaen-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/5024ae00-8548-11ee-bea9-49b54d46179b.jpg "2D Structure of (12S)-3,10,17-trihydroxy-7,7,21,21-tetramethyl-12-prop-1-en-2-yl-8,20,26-trioxahexacyclo[12.12.0.02,11.04,9.016,25.019,24]hexacosa-1(14),2(11),3,5,9,16(25),17,19(24),22-nonaen-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 | 99.93% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.15% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.72% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.81% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.18% | 98.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.36% | 85.30% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.33% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.94% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.43% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.24% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.69% | 95.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.53% | 85.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.38% | 96.09% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 85.38% | 94.42% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.20% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.57% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.43% | 95.71% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.25% | 96.77% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.56% | 93.04% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 81.14% | 80.96% |
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.
| Artocarpus altilis |
| PubChem | 154496197 |
| LOTUS | LTS0204458 |
| wikiData | Q105135807 |