3,4,13,14,15-Pentamethoxy-8,9-dimethyl-17-oxatetracyclo[8.6.1.01,6.011,16]heptadeca-3,5,11,13,15-pentaen-2-one
Internal ID | 58883121-36bb-4adb-b7f4-d0375f20de93 |
Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
IUPAC Name | 3,4,13,14,15-pentamethoxy-8,9-dimethyl-17-oxatetracyclo[8.6.1.01,6.011,16]heptadeca-3,5,11,13,15-pentaen-2-one |
SMILES (Canonical) | CC1CC2=CC(=C(C(=O)C23C4=C(C(=C(C=C4C(C1C)O3)OC)OC)OC)OC)OC |
SMILES (Isomeric) | CC1CC2=CC(=C(C(=O)C23C4=C(C(=C(C=C4C(C1C)O3)OC)OC)OC)OC)OC |
InChI | InChI=1S/C23H28O7/c1-11-8-13-9-15(25-3)20(28-6)22(24)23(13)17-14(18(30-23)12(11)2)10-16(26-4)19(27-5)21(17)29-7/h9-12,18H,8H2,1-7H3 |
InChI Key | FFSFOPWUUXUQHZ-UHFFFAOYSA-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 | 3.10 |
There are no found synonyms. |
![2D Structure of 3,4,13,14,15-Pentamethoxy-8,9-dimethyl-17-oxatetracyclo[8.6.1.01,6.011,16]heptadeca-3,5,11,13,15-pentaen-2-one 2D Structure of 3,4,13,14,15-Pentamethoxy-8,9-dimethyl-17-oxatetracyclo[8.6.1.01,6.011,16]heptadeca-3,5,11,13,15-pentaen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/6f33e110-8564-11ee-b6ea-4fcf05ed4fe1.jpg)
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 | 94.01% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.86% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.50% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.46% | 95.56% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.22% | 94.80% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.81% | 93.99% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.71% | 96.09% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.85% | 97.14% |
CHEMBL2581 | P07339 | Cathepsin D | 88.66% | 98.95% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.49% | 97.05% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.13% | 94.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.66% | 97.09% |
CHEMBL2535 | P11166 | Glucose transporter | 85.67% | 98.75% |
CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 85.02% | 94.03% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.87% | 96.61% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.64% | 89.00% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.26% | 82.38% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.49% | 92.62% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.17% | 91.19% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.27% | 97.25% |
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 | 72989106 |
LOTUS | LTS0208906 |
wikiData | Q104994651 |