5-(6-Hydroxy-7,7-dimethyl-3a,4,5,6-tetrahydrofuro[3,2-g]chromen-2-yl)benzene-1,3-diol
Internal ID | b46a9e67-cfec-4c9e-8240-022906377098 |
Taxonomy | Benzenoids > Phenols > Benzenediols > Resorcinols |
IUPAC Name | 5-(6-hydroxy-7,7-dimethyl-3a,4,5,6-tetrahydrofuro[3,2-g]chromen-2-yl)benzene-1,3-diol |
SMILES (Canonical) | CC1(C(CC2=C(O1)C=C3C(C2)C=C(O3)C4=CC(=CC(=C4)O)O)O)C |
SMILES (Isomeric) | CC1(C(CC2=C(O1)C=C3C(C2)C=C(O3)C4=CC(=CC(=C4)O)O)O)C |
InChI | InChI=1S/C19H20O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h4-6,8-10,18,20-22H,3,7H2,1-2H3 |
InChI Key | OXSJQIXSXQJWOZ-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C19H20O5 |
Molecular Weight | 328.40 g/mol |
Exact Mass | 328.13107373 g/mol |
Topological Polar Surface Area (TPSA) | 79.20 Ų |
XlogP | 2.00 |
5-[(6R)-6,7-Dihydro-6-hydroxy-7,7-dimethyl-5H-furo[3,2-g][1]benzopyran-2-yl]-1,3-benzenediol; (-)-Moracin P |
DTXSID70908084 |
CEA84146 |
AKOS032949004 |
FT-0775296 |
5-(6-Hydroxy-7,7-dimethyl-3a,5,6,7-tetrahydro-4H-furo[3,2-g][1]benzopyran-2-yl)benzene-1,3-diol |
![2D Structure of 5-(6-Hydroxy-7,7-dimethyl-3a,4,5,6-tetrahydrofuro[3,2-g]chromen-2-yl)benzene-1,3-diol 2D Structure of 5-(6-Hydroxy-7,7-dimethyl-3a,4,5,6-tetrahydrofuro[3,2-g]chromen-2-yl)benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/5-6-hydroxy-77-dimethyl-3a456-tetrahydrofuro32-gchromen-2-ylbenzene-13-diol.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 | 98.52% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 93.45% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.42% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.84% | 89.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.23% | 100.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.90% | 97.09% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.28% | 85.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.95% | 86.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.25% | 95.89% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.62% | 92.94% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.01% | 95.56% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.55% | 90.00% |
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.
Morus alba |
Morus cathayana |
Morus wittiorum |
PubChem | 480776 |
LOTUS | LTS0243726 |
wikiData | Q82877468 |