1,11-dihydroxy-12-methoxy-7,7,10a-trimethyl-2,5,6,6a,9,10-hexahydro-1H-naphtho[1,2-h]isochromene-4,8-dione
Internal ID | cd663ea1-d287-46f8-8555-9c5751807160 |
Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
IUPAC Name | 1,11-dihydroxy-12-methoxy-7,7,10a-trimethyl-2,5,6,6a,9,10-hexahydro-1H-naphtho[1,2-h]isochromene-4,8-dione |
SMILES (Canonical) | CC1(C2CCC3=C4C(=C(C(=C3C2(CCC1=O)C)O)OC)C(COC4=O)O)C |
SMILES (Isomeric) | CC1(C2CCC3=C4C(=C(C(=C3C2(CCC1=O)C)O)OC)C(COC4=O)O)C |
InChI | InChI=1S/C21H26O6/c1-20(2)12-6-5-10-14-15(11(22)9-27-19(14)25)18(26-4)17(24)16(10)21(12,3)8-7-13(20)23/h11-12,22,24H,5-9H2,1-4H3 |
InChI Key | VLSCNAWMSGINHJ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H26O6 |
Molecular Weight | 374.40 g/mol |
Exact Mass | 374.17293854 g/mol |
Topological Polar Surface Area (TPSA) | 93.10 Ų |
XlogP | 2.50 |
There are no found synonyms. |
![2D Structure of 1,11-dihydroxy-12-methoxy-7,7,10a-trimethyl-2,5,6,6a,9,10-hexahydro-1H-naphtho[1,2-h]isochromene-4,8-dione 2D Structure of 1,11-dihydroxy-12-methoxy-7,7,10a-trimethyl-2,5,6,6a,9,10-hexahydro-1H-naphtho[1,2-h]isochromene-4,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1636bce0-8575-11ee-a26b-b3cd64e1b3e0.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 | 98.42% | 91.11% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.02% | 99.23% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.39% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.15% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 90.53% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.18% | 97.09% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.61% | 94.75% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.22% | 86.33% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.15% | 94.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 86.97% | 95.93% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.83% | 91.19% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.19% | 100.00% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.72% | 96.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.94% | 96.09% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.25% | 93.03% |
CHEMBL3820 | P35557 | Hexokinase type IV | 80.79% | 91.96% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.49% | 82.69% |
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.
Swartzia arborescens |
PubChem | 162843055 |
LOTUS | LTS0136891 |
wikiData | Q105288642 |