Gilvocarcin E

Details

Top
Internal ID 37198ae9-115e-4887-a05d-b6247c9f8267
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
IUPAC Name 4-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-8-ethyl-1-hydroxy-10,12-dimethoxynaphtho[1,2-c]isochromen-6-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C27H28O9/c1-5-12-8-15-19(17(9-12)33-3)14-10-18(34-4)21-16(29)7-6-13(20(21)25(14)36-27(15)32)26-23(31)22(30)24(35-26)11(2)28/h6-11,22-24,26,28-31H,5H2,1-4H3/t11-,22-,23-,24+,26-/m1/s1
InChI Key MHEQKYHSXMKYKF-UCDARZNSSA-N
Popularity 5 references in papers

Physical and Chemical Properties

Top
Molecular Formula C27H28O9
Molecular Weight 496.50 g/mol
Exact Mass 496.17333247 g/mol
Topological Polar Surface Area (TPSA) 135.00 Ų
XlogP 3.30

Synonyms

Top
CHEMBL5181386
VGP

2D Structure

Top
2D Structure of Gilvocarcin E

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 99.25% 91.11%
CHEMBL2581 P07339 Cathepsin D 99.16% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.32% 94.45%
CHEMBL2535 P11166 Glucose transporter 94.79% 98.75%
CHEMBL4040 P28482 MAP kinase ERK2 94.54% 83.82%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.23% 89.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 92.28% 95.89%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.13% 94.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 91.81% 92.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.79% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 90.77% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.07% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.88% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 88.66% 99.15%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 86.88% 94.03%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.75% 99.17%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 84.56% 86.92%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.18% 85.14%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.54% 96.95%
CHEMBL1907 P15144 Aminopeptidase N 81.85% 93.31%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.44% 90.71%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.27% 97.14%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 80.01% 100.00%
CHEMBL253 P34972 Cannabinoid CB2 receptor 80.00% 97.25%

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 133570
LOTUS LTS0096859
wikiData Q105163763