Clusiacitran A
| Internal ID | 5b1bc7f2-7669-4b08-ae47-2b0f0fc69783 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzophenones |
| IUPAC Name | (9-hydroxy-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7,9,11-trien-8-yl)-phenylmethanone |
| SMILES (Canonical) | CC1(C2CCC3(CC2C4=C(O3)C=C(C(=C4O1)C(=O)C5=CC=CC=C5)O)C)C |
| SMILES (Isomeric) | CC1(C2CCC3(CC2C4=C(O3)C=C(C(=C4O1)C(=O)C5=CC=CC=C5)O)C)C |
| InChI | InChI=1S/C23H24O4/c1-22(2)15-9-10-23(3)12-14(15)18-17(26-23)11-16(24)19(21(18)27-22)20(25)13-7-5-4-6-8-13/h4-8,11,14-15,24H,9-10,12H2,1-3H3 |
| InChI Key | XUPOZHDUFRMVTF-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C23H24O4 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 5.00 |
| DTXSID601347057 |
| NCGC00380087-01 |
| 163597-65-7 |
| Clusiacitran A, >=95% (LC/MS-ELSD) |
| NCGC00380087-01_C23H24O4_ |
| 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 | 97.80% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.30% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.65% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.86% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.00% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.03% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.40% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.37% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.12% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.82% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.48% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.37% | 96.61% |
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.
| Clusia multiflora |
| PubChem | 45359597 |
| LOTUS | LTS0061644 |
| wikiData | Q105342508 |