PlantaeDB Logo
Login Sign-up

Sophonorol F

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

Top
Internal ID 933db6f0-2317-4b3f-8d1a-b44939648a02
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 8-prenylated isoflavanones
IUPAC Name (3S)-3,5-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-methoxy-8-(3-methylbut-2-enyl)-2H-chromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C27H32O7/c1-15(2)7-9-17-20(28)12-11-19(24(17)33-6)27(31)14-34-25-18(10-8-16(3)4)22(32-5)13-21(29)23(25)26(27)30/h7-8,11-13,28-29,31H,9-10,14H2,1-6H3/t27-/m1/s1
InChI Key CXAXZPWQRPXPGL-HHHXNRCGSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C27H32O7
Molecular Weight 468.50 g/mol
Exact Mass 468.21480336 g/mol
Topological Polar Surface Area (TPSA) 105.00 Ų
XlogP 5.90

Synonyms

Top
(3S)-3,5-dihydroxy-3-(4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl)-7-methoxy-8-(3-methylbut-2-enyl)-2H-chromen-4-one
(3S)-3,5-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-methoxy-8-(3-methylbut-2-enyl)-2H-chromen-4-one
RefChem:184344
CHEMBL558301

2D Structure

Top
2D Structure of Sophonorol F

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 99.69% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 98.19% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.69% 86.33%
CHEMBL4208 P20618 Proteasome component C5 92.87% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.03% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 91.02% 91.49%
CHEMBL1937 Q92769 Histone deacetylase 2 90.94% 94.75%
CHEMBL2581 P07339 Cathepsin D 90.58% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.19% 96.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.34% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.78% 89.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.94% 96.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 84.91% 93.99%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.16% 93.40%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.95% 92.62%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.86% 99.15%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.70% 100.00%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 81.39% 91.07%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.94% 99.17%

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.
Sophora mollis

Cross-Links

Top
PubChem 44233682
NPASS NPC209760
ChEMBL CHEMBL558301
LOTUS LTS0054326
wikiData Q104971719