4,6-Dihydroxy-7-(2-hydroxy-4-methoxy-6-methylphenyl)-9-methoxy-2,12,12-trimethyltetracen-5-one

Details

Top
Internal ID 228a70d2-1074-450b-b89a-cc7deb8482bb
Taxonomy Benzenoids > Naphthacenes
IUPAC Name 4,6-dihydroxy-7-(2-hydroxy-4-methoxy-6-methylphenyl)-9-methoxy-2,12,12-trimethyltetracen-5-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C30H28O6/c1-14-7-20-26(22(31)8-14)29(34)27-21(30(20,3)4)11-16-10-18(36-6)12-19(25(16)28(27)33)24-15(2)9-17(35-5)13-23(24)32/h7-13,31-33H,1-6H3
InChI Key YZWLXRJGOMYYFA-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C30H28O6
Molecular Weight 484.50 g/mol
Exact Mass 484.18858861 g/mol
Topological Polar Surface Area (TPSA) 96.20 Ų
XlogP 7.30

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 4,6-Dihydroxy-7-(2-hydroxy-4-methoxy-6-methylphenyl)-9-methoxy-2,12,12-trimethyltetracen-5-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.97% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.22% 95.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 96.04% 99.15%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.03% 85.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.23% 94.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.54% 99.23%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 91.58% 92.68%
CHEMBL2581 P07339 Cathepsin D 90.84% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.99% 86.33%
CHEMBL1937 Q92769 Histone deacetylase 2 88.86% 94.75%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 87.28% 96.21%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 86.38% 91.79%
CHEMBL4208 P20618 Proteasome component C5 85.71% 90.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.11% 89.00%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 84.73% 94.42%
CHEMBL4581 P52732 Kinesin-like protein 1 83.98% 93.18%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.64% 92.94%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 83.07% 96.67%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 82.88% 91.71%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 81.10% 96.09%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.79% 96.95%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 80.56% 91.07%
CHEMBL2056 P21728 Dopamine D1 receptor 80.38% 91.00%

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.
There are no matching plants.

Cross-Links

Top
PubChem 146682646
LOTUS LTS0202689
wikiData Q105369550