2-(3,4-dimethoxyphenyl)-3,4,7-trimethoxy-3,4-dihydro-2H-chromene

Details

Top
Internal ID d98e4e3a-29ff-4308-ad3b-2cffc38a6e9f
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavans > Leucoanthocyanidins
IUPAC Name 2-(3,4-dimethoxyphenyl)-3,4,7-trimethoxy-3,4-dihydro-2H-chromene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H24O6/c1-21-13-7-8-14-16(11-13)26-18(20(25-5)19(14)24-4)12-6-9-15(22-2)17(10-12)23-3/h6-11,18-20H,1-5H3
InChI Key RCABCWRSNHSFDC-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C20H24O6
Molecular Weight 360.40 g/mol
Exact Mass 360.15728848 g/mol
Topological Polar Surface Area (TPSA) 55.40 Ų
XlogP 2.70

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 2-(3,4-dimethoxyphenyl)-3,4,7-trimethoxy-3,4-dihydro-2H-chromene

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.17% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.18% 97.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.61% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.00% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.92% 86.33%
CHEMBL1907 P15144 Aminopeptidase N 86.56% 93.31%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.55% 95.89%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 86.16% 100.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 85.53% 97.14%
CHEMBL2581 P07339 Cathepsin D 85.44% 98.95%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 85.33% 94.03%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.18% 94.00%
CHEMBL3231 Q13464 Rho-associated protein kinase 1 84.63% 95.55%
CHEMBL3438 Q05513 Protein kinase C zeta 84.33% 88.48%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.28% 91.11%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 83.15% 86.92%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.43% 92.94%
CHEMBL2535 P11166 Glucose transporter 81.04% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.02% 99.17%
CHEMBL2319 P06870 Kallikrein 1 80.02% 90.95%

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 74977198
LOTUS LTS0222994
wikiData Q105233450