Naphtho[2,3-b]furan-4,9-dione, 2-acetyl-8-hydroxy-

Details

Top
Internal ID 9251987a-ba0c-428e-9c27-1d0ad84ef6e6
Taxonomy Organoheterocyclic compounds > Naphthofurans
IUPAC Name 2-acetyl-8-hydroxybenzo[f][1]benzofuran-4,9-dione
SMILES (Canonical) CC(=O)C1=CC2=C(O1)C(=O)C3=C(C2=O)C=CC=C3O
SMILES (Isomeric) CC(=O)C1=CC2=C(O1)C(=O)C3=C(C2=O)C=CC=C3O
InChI InChI=1S/C14H8O5/c1-6(15)10-5-8-12(17)7-3-2-4-9(16)11(7)13(18)14(8)19-10/h2-5,16H,1H3
InChI Key MYDAXHYLQBNETF-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C14H8O5
Molecular Weight 256.21 g/mol
Exact Mass 256.03717335 g/mol
Topological Polar Surface Area (TPSA) 84.60 Ų
XlogP 2.50

Synonyms

Top
123297-91-6
CHEMBL493650
SCHEMBL20187568
DTXSID30432299
PMID26394986-Compound-50

2D Structure

Top
2D Structure of Naphtho[2,3-b]furan-4,9-dione, 2-acetyl-8-hydroxy-

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
CHEMBL2581 P07339 Cathepsin D 98.87% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 95.57% 91.49%
CHEMBL3401 O75469 Pregnane X receptor 93.65% 94.73%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.84% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.22% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.20% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.49% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.20% 86.33%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 85.98% 93.65%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.73% 94.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.74% 96.95%
CHEMBL2535 P11166 Glucose transporter 84.50% 98.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.62% 99.15%
CHEMBL340 P08684 Cytochrome P450 3A4 81.11% 91.19%

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.
Handroanthus impetiginosus

Cross-Links

Top
PubChem 9881541
NPASS NPC252208
ChEMBL CHEMBL493650
LOTUS LTS0226131
wikiData Q82246371