6-Hydroxy-5,10-dimethoxy-3,7-dioxatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),4,8(16),9,11,13-hexaen-2-one

Details

Top
Internal ID 78ccf371-8cb6-4967-b735-12c012a62196
Taxonomy Organoheterocyclic compounds > Naphthofurans
IUPAC Name 6-hydroxy-5,10-dimethoxy-3,7-dioxatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),4,8(16),9,11,13-hexaen-2-one
SMILES (Canonical) COC1=CC2=C3C(=C1)C=CC4=C3C(=C(C(O2)O)OC)OC4=O
SMILES (Isomeric) COC1=CC2=C3C(=C1)C=CC4=C3C(=C(C(O2)O)OC)OC4=O
InChI InChI=1S/C16H12O6/c1-19-8-5-7-3-4-9-12-11(7)10(6-8)21-16(18)14(20-2)13(12)22-15(9)17/h3-6,16,18H,1-2H3
InChI Key SLLNICLXDLPKRQ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C16H12O6
Molecular Weight 300.26 g/mol
Exact Mass 300.06338810 g/mol
Topological Polar Surface Area (TPSA) 74.20 Ų
XlogP 1.80

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 6-Hydroxy-5,10-dimethoxy-3,7-dioxatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),4,8(16),9,11,13-hexaen-2-one

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 94.53% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.47% 86.33%
CHEMBL2581 P07339 Cathepsin D 94.30% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.24% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.90% 94.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.09% 99.23%
CHEMBL3401 O75469 Pregnane X receptor 87.86% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.61% 96.09%
CHEMBL4208 P20618 Proteasome component C5 84.59% 90.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.99% 96.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.06% 99.17%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 82.31% 92.62%
CHEMBL2535 P11166 Glucose transporter 81.08% 98.75%
CHEMBL1907 P15144 Aminopeptidase N 80.21% 93.31%

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.
Dioscorea membranacea

Cross-Links

Top
PubChem 85378388
LOTUS LTS0051460
wikiData Q105255411