Dorsilurin I

Details

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Internal ID af9c3e8a-b812-4e03-84ac-f040ac64cfa6
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavones > 8-prenylated flavones
IUPAC Name 3,5-dihydroxy-2-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C30H34O7/c1-15(2)7-10-19-24(33)23-25(34)26(35)27(36-29(23)20-11-12-30(5,6)37-28(19)20)18-9-8-17(22(32)14-18)13-21(31)16(3)4/h7-9,14,21,31-33,35H,3,10-13H2,1-2,4-6H3/t21-/m0/s1
InChI Key LGOMXMSCNFANHV-NRFANRHFSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C30H34O7
Molecular Weight 506.60 g/mol
Exact Mass 506.23045342 g/mol
Topological Polar Surface Area (TPSA) 116.00 Ų
XlogP 6.70

Synonyms

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CHEBI:65806
3,5-dihydroxy-2-{3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-en-1-yl]phenyl}-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-4-one
7,8-(2,2-dimethyldihydropyrano)-5,3'-dihydroxy-6-prenyl-4'-(2S-hydroxy-3-methylbut-3-enyl)flavonol
CHEMBL489470
Q27134297
3,5-dihydroxy-2-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one

2D Structure

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2D Structure of Dorsilurin I

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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 99.92% 91.11%
CHEMBL2581 P07339 Cathepsin D 99.04% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 98.71% 94.45%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 98.50% 85.30%
CHEMBL1806 P11388 DNA topoisomerase II alpha 96.04% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.94% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 93.06% 94.73%
CHEMBL1951 P21397 Monoamine oxidase A 92.97% 91.49%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.87% 95.56%
CHEMBL1937 Q92769 Histone deacetylase 2 90.38% 94.75%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.28% 94.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.15% 100.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 86.85% 90.71%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.73% 96.09%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 85.14% 91.71%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 83.78% 100.00%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 83.24% 92.68%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.98% 95.89%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.56% 99.15%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 81.06% 95.64%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.69% 96.95%
CHEMBL3038469 P24941 CDK2/Cyclin A 80.14% 91.38%

Plants that contains it

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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.
Dorstenia psilurus

Cross-Links

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PubChem 25178184
LOTUS LTS0043166
wikiData Q27134297