(10S)-22-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7,8,15-tetrahydroxy-19,19-dimethyl-10-prop-1-en-2-yl-2,20-dioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),5,7,15,17,21-octaen-13-one
Internal ID | 15ab8ed3-f864-41e5-94e3-612d56e2379d |
Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
IUPAC Name | (10S)-22-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7,8,15-tetrahydroxy-19,19-dimethyl-10-prop-1-en-2-yl-2,20-dioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),5,7,15,17,21-octaen-13-one |
SMILES (Canonical) | CC(=CCCC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)CC(C5=C4C(=CC(=C5O)O)O)C(=C)C)O)C=CC(O2)(C)C)C)C |
SMILES (Isomeric) | CC(=CCC/C(=C/CC1=C2C(=C(C3=C1OC4=C(C3=O)C[C@H](C5=C4C(=CC(=C5O)O)O)C(=C)C)O)C=CC(O2)(C)C)/C)C |
InChI | InChI=1S/C35H38O7/c1-17(2)9-8-10-19(5)11-12-21-32-20(13-14-35(6,7)42-32)29(38)28-30(39)23-15-22(18(3)4)26-27(34(23)41-33(21)28)24(36)16-25(37)31(26)40/h9,11,13-14,16,22,36-38,40H,3,8,10,12,15H2,1-2,4-7H3/b19-11+/t22-/m0/s1 |
InChI Key | RCSUVVNGRJMHQT-CMYPOMNDSA-N |
Popularity | 0 references in papers |
Molecular Formula | C35H38O7 |
Molecular Weight | 570.70 g/mol |
Exact Mass | 570.26175355 g/mol |
Topological Polar Surface Area (TPSA) | 116.00 Ų |
XlogP | 8.50 |
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 | 99.98% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 99.27% | 91.49% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.98% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 94.95% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.81% | 89.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 93.52% | 94.73% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.40% | 89.34% |
CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.76% | 85.30% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.76% | 95.89% |
CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 88.71% | 80.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.10% | 99.23% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.94% | 96.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.18% | 100.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.82% | 90.71% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.59% | 99.17% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.59% | 95.56% |
CHEMBL3038469 | P24941 | CDK2/Cyclin A | 84.59% | 91.38% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.01% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.75% | 86.33% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.61% | 94.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.15% | 97.09% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.43% | 95.71% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.05% | 91.19% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.27% | 90.00% |
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.
Artocarpus integer |
PubChem | 162865845 |
LOTUS | LTS0210867 |
wikiData | Q105233945 |