7,8-Dimethoxy-4-methyldibenzofuran-1-carbaldehyde

Details

Top
Internal ID b90ee002-836f-400b-b2d1-01a9601aa77e
Taxonomy Organoheterocyclic compounds > Benzofurans > Dibenzofurans
IUPAC Name 7,8-dimethoxy-4-methyldibenzofuran-1-carbaldehyde
SMILES (Canonical) CC1=C2C(=C(C=C1)C=O)C3=CC(=C(C=C3O2)OC)OC
SMILES (Isomeric) CC1=C2C(=C(C=C1)C=O)C3=CC(=C(C=C3O2)OC)OC
InChI InChI=1S/C16H14O4/c1-9-4-5-10(8-17)15-11-6-13(18-2)14(19-3)7-12(11)20-16(9)15/h4-8H,1-3H3
InChI Key NOXBPEXNVDSCSI-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C16H14O4
Molecular Weight 270.28 g/mol
Exact Mass 270.08920892 g/mol
Topological Polar Surface Area (TPSA) 48.70 Ų
XlogP 3.40

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 7,8-Dimethoxy-4-methyldibenzofuran-1-carbaldehyde

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.32% 95.56%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 94.84% 98.11%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 93.80% 96.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.84% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.30% 94.00%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 91.25% 89.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.24% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.22% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 89.07% 94.73%
CHEMBL2581 P07339 Cathepsin D 87.07% 98.95%
CHEMBL2535 P11166 Glucose transporter 85.30% 98.75%
CHEMBL3714130 P46095 G-protein coupled receptor 6 83.62% 97.36%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 82.73% 96.47%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 82.14% 94.03%
CHEMBL3194 P02766 Transthyretin 81.27% 90.71%
CHEMBL3492 P49721 Proteasome Macropain subunit 80.40% 90.24%

Plants that contains it

Top
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.
Ligularia nanchuanica

Cross-Links

Top
PubChem 162989451
LOTUS LTS0165753
wikiData Q105182857