(15S)-11,20-dihydroxy-19-methoxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17,19,21-octaen-13-one
Internal ID | 89db7145-d41f-4dc8-823e-7fa502893c2d |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
IUPAC Name | (15S)-11,20-dihydroxy-19-methoxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17,19,21-octaen-13-one |
SMILES (Canonical) | CC(=CC1C2=C(C3=CC(=C(C=C3O1)OC)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O)C |
SMILES (Isomeric) | CC(=C[C@H]1C2=C(C3=CC(=C(C=C3O1)OC)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O)C |
InChI | InChI=1S/C26H24O7/c1-12(2)8-20-22-23(29)21-16(28)10-18-13(6-7-26(3,4)33-18)24(21)32-25(22)14-9-15(27)19(30-5)11-17(14)31-20/h6-11,20,27-28H,1-5H3/t20-/m0/s1 |
InChI Key | WQSBCGFYYIWXHK-FQEVSTJZSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H24O7 |
Molecular Weight | 448.50 g/mol |
Exact Mass | 448.15220310 g/mol |
Topological Polar Surface Area (TPSA) | 94.40 Ų |
XlogP | 5.20 |
There are no found synonyms. |
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 | 99.54% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.19% | 89.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.37% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.66% | 95.56% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.14% | 94.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.97% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 89.96% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.52% | 86.33% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.04% | 99.23% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.42% | 97.14% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.36% | 95.89% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.78% | 96.77% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.59% | 91.19% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.41% | 92.94% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.57% | 99.17% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.20% | 92.62% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.12% | 89.50% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.94% | 94.42% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.80% | 97.05% |
CHEMBL3194 | P02766 | Transthyretin | 81.89% | 90.71% |
CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 81.66% | 98.11% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.01% | 95.50% |
CHEMBL2535 | P11166 | Glucose transporter | 80.40% | 98.75% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.07% | 91.07% |
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 | 154496417 |
LOTUS | LTS0157282 |
wikiData | Q105310934 |