(1S,10S)-2,3,13,14,15-pentamethoxy-8,9-dimethyl-17-oxatetracyclo[8.6.1.01,6.011,16]heptadeca-2,5,11,13,15-pentaen-4-one
Internal ID | 18c10b67-4dfe-4c53-9530-6996062cbad8 |
Taxonomy | Organoheterocyclic compounds > Isocoumarans |
IUPAC Name | (1S,10S)-2,3,13,14,15-pentamethoxy-8,9-dimethyl-17-oxatetracyclo[8.6.1.01,6.011,16]heptadeca-2,5,11,13,15-pentaen-4-one |
SMILES (Canonical) | CC1CC2=CC(=O)C(=C(C23C4=C(C(=C(C=C4C(C1C)O3)OC)OC)OC)OC)OC |
SMILES (Isomeric) | CC1CC2=CC(=O)C(=C([C@@]23C4=C(C(=C(C=C4[C@H](C1C)O3)OC)OC)OC)OC)OC |
InChI | InChI=1S/C23H28O7/c1-11-8-13-9-15(24)19(26-4)22(29-7)23(13)17-14(18(30-23)12(11)2)10-16(25-3)20(27-5)21(17)28-6/h9-12,18H,8H2,1-7H3/t11?,12?,18-,23-/m0/s1 |
InChI Key | ASRSGPWPPWDGFA-VNGHIMSSSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H28O7 |
Molecular Weight | 416.50 g/mol |
Exact Mass | 416.18350323 g/mol |
Topological Polar Surface Area (TPSA) | 72.40 Ų |
XlogP | 2.60 |
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 |
---|---|---|---|---|
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.82% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.47% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.34% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.13% | 95.56% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.50% | 91.11% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.05% | 97.14% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.58% | 97.05% |
CHEMBL2581 | P07339 | Cathepsin D | 89.54% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.29% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.21% | 94.00% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.87% | 94.80% |
CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 87.74% | 94.03% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.35% | 97.25% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.66% | 93.99% |
CHEMBL2535 | P11166 | Glucose transporter | 83.26% | 98.75% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.56% | 97.09% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.51% | 92.62% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.33% | 95.50% |
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.
Kadsura coccinea |
PubChem | 138112172 |
LOTUS | LTS0139829 |
wikiData | Q104918018 |