Heterophylol
| Internal ID | 2bff32e8-9f77-44d1-89c6-a292c736bb97 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-enyl)-6a,7,12,12a-tetrahydronaphtho[2,3-c]chromen-3-ol |
| SMILES (Canonical) | CC(=CCC1=C(C=C(C2=C1CC3C(C2)C4=C(C=C(C=C4)O)OC3(C)C)OC)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C(C2=C1CC3C(C2)C4=C(C=C(C=C4)O)OC3(C)C)OC)OC)C |
| InChI | InChI=1S/C26H32O4/c1-15(2)7-9-17-19-13-22-20(12-21(19)24(29-6)14-23(17)28-5)18-10-8-16(27)11-25(18)30-26(22,3)4/h7-8,10-11,14,20,22,27H,9,12-13H2,1-6H3 |
| InChI Key | VDNFSSVVXBUKRX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H32O4 |
| Molecular Weight | 408.50 g/mol |
| Exact Mass | 408.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 6.10 |
| CHEBI:176014 |
| DTXSID301107820 |
| 152841-81-1 |
| 6a,7,12,12a-Tetrahydro-9,11-dimethoxy-6,6-dimethyl-8-(3-methyl-2-buten-1-yl)-6H-benzo[b]naphtho[2,3-d]pyran-3-ol |
| 6a,7,12,12a-Tetrahydro-9,11-dimethoxy-6,6-dimethyl-8-(3-methyl-2-butenyl)-6H-benzo[b]naphtho[2,3-D]pyran-3-ol, 9CI |
| 9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-enyl)-6a,7,12,12a-tetrahydronaphtho[2,3-c]chromen-3-ol |
| 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 | 99.35% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.68% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.21% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.77% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.46% | 86.33% |
| CHEMBL240 | Q12809 | HERG | 90.66% | 89.76% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.11% | 92.94% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.87% | 89.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.19% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.04% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.26% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.16% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.81% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.66% | 89.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 84.37% | 94.03% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.10% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.78% | 89.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.91% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.64% | 100.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.76% | 89.44% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.75% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.40% | 98.95% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.37% | 82.38% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.08% | 94.73% |
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 heterophyllus |
| Artocarpus integer |
| PubChem | 15227962 |
| LOTUS | LTS0114360 |
| wikiData | Q104402930 |