(2S)-5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Internal ID | 32afd710-be0b-4ede-b0da-256eefb43b6b |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
IUPAC Name | (2S)-5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
SMILES (Canonical) | CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C2CC(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)C |
SMILES (Isomeric) | CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)[C@@H]2CC(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)C |
InChI | InChI=1S/C30H36O5/c1-17(2)7-10-20-13-22(14-21(29(20)34)11-8-18(3)4)27-16-26(33)28-25(32)15-24(31)23(30(28)35-27)12-9-19(5)6/h7-9,13-15,27,31-32,34H,10-12,16H2,1-6H3/t27-/m0/s1 |
InChI Key | ABQFAJSGVWQVGF-MHZLTWQESA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H36O5 |
Molecular Weight | 476.60 g/mol |
Exact Mass | 476.25627424 g/mol |
Topological Polar Surface Area (TPSA) | 87.00 Ų |
XlogP | 8.20 |
There are no found synonyms. |
![2D Structure of (2S)-5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one 2D Structure of (2S)-5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/079bc9b0-821f-11ee-a697-c94bf8acc307.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 | 99.55% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.38% | 85.14% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 93.08% | 91.49% |
CHEMBL3401 | O75469 | Pregnane X receptor | 92.83% | 94.73% |
CHEMBL2581 | P07339 | Cathepsin D | 92.42% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.93% | 94.45% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.92% | 89.34% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.58% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.22% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.55% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.91% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.11% | 96.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.97% | 100.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.41% | 95.89% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.33% | 96.12% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.19% | 99.23% |
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.
Erythrina subumbrans |
Maackia amurensis |
Millettia pulchra |
PubChem | 124355984 |
LOTUS | LTS0232539 |
wikiData | Q104400374 |