4-(5,6,7-trimethoxy-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-8-yl)phenol

Details

Top
Internal ID 157a7d2e-f464-4933-81ca-b2bfa60e94a2
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids
IUPAC Name 4-(5,6,7-trimethoxy-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-8-yl)phenol
SMILES (Canonical) CC1(C=CC2=C(C3=C(C=C2O1)OC(C(C3OC)OC)C4=CC=C(C=C4)O)OC)C
SMILES (Isomeric) CC1(C=CC2=C(C3=C(C=C2O1)OC(C(C3OC)OC)C4=CC=C(C=C4)O)OC)C
InChI InChI=1S/C23H26O6/c1-23(2)11-10-15-16(29-23)12-17-18(20(15)25-3)21(26-4)22(27-5)19(28-17)13-6-8-14(24)9-7-13/h6-12,19,21-22,24H,1-5H3
InChI Key KAMSUIMVPLJLGA-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C23H26O6
Molecular Weight 398.40 g/mol
Exact Mass 398.17293854 g/mol
Topological Polar Surface Area (TPSA) 66.40 Ų
XlogP 3.30

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 4-(5,6,7-trimethoxy-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-8-yl)phenol

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 99.49% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.88% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.67% 96.09%
CHEMBL1951 P21397 Monoamine oxidase A 93.79% 91.49%
CHEMBL242 Q92731 Estrogen receptor beta 93.61% 98.35%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.89% 85.14%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.25% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.08% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.14% 97.09%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 86.55% 97.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.88% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.46% 99.17%
CHEMBL2535 P11166 Glucose transporter 84.01% 98.75%
CHEMBL2581 P07339 Cathepsin D 82.92% 98.95%
CHEMBL4208 P20618 Proteasome component C5 82.29% 90.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.98% 99.15%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.46% 94.00%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 81.37% 94.03%
CHEMBL3438 Q05513 Protein kinase C zeta 81.20% 88.48%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.77% 92.62%

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.
Lonchocarpus guatemalensis

Cross-Links

Top
PubChem 22297334
LOTUS LTS0028340
wikiData Q105137916