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Natural Compounds in Glioblastoma Therapy #344

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ANUGAMAGE opened this issue Jan 24, 2025 · 1 comment
Open

Natural Compounds in Glioblastoma Therapy #344

ANUGAMAGE opened this issue Jan 24, 2025 · 1 comment
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@ANUGAMAGE
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ANUGAMAGE commented Jan 24, 2025

Categorize the chemicals in bellow paper.

@Lyq322 @@kalanakotawalagedara
https://pmc.ncbi.nlm.nih.gov/articles/PMC8150927/

@kalanakotawalagedara
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Alkaloids
'berberine' : 'COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC'
Carboxylic Acid Derivatives
'cinnamic acid' : r'C1=CC=C(C=C1)/C=C/C(=O)O' 
'ferulic acid' : r'COC1=C(C=CC(=C1)/C=C/C(=O)O)O'  
Carotenoids
'adonixanthin' : r'CC1=C(C(CC@@HO)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)C@HO)C)/C)/C'  
'astaxanthin' : r'CC1=C(C(CC@@HO)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)C@HO)C)\C)\C)/C)/C' 
'crocetin' : r' C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O)/C)/C)/C=C/C=C(/C(=O)O)\C' 
Coumarins
'galbanic acid' : ' C[C@H]1CCC(=C(C)C)C@@HCCC(=O)O'
'osthole' : ' CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C' 
Curcuminoids
'curcumin' : r' COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O'
Flavonoids
'chrysin' : 'C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O'
'diosmin' : 'C[C@H]1C@@HO' 
'egcg' : 'C1C@HOC(=O)C4=CC(=C(C(=C4)O)O)O'
'galangin' : ' C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O'
'matteucino'l : ' CC1=C(C(=C2C(=C1O)C(=O)CC@HC3=CC=C(C=C3)OC)C)O'  
'naringin' : ' C[C@H]1C@@HO'
'quercetin' : ' C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O'
'resveratrol' : ' C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O'
'rutin' : 'C[C@H]1C@@HO'
'symarin' : ' COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O'
'tectorigenin' : ' COC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O'  
'xanthohumol' : r'CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O)C' 
Lignans
'arctigenin' : ' COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@h]2CC3=CC(=C(C=C3)O)OC)OC'
'magnolol' : 'C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)O'
Steroids
'diosgenin' : ' C[C@@h]1CC[C@@]2(C@HC)OC1'
'gamabufotalin' : ' C[C@]12CCC@@HO'
'withaferin a' : ' CC1=C(C(=O)OC@HC@@H[C@H]2CC[C@@h]3[C@@]2(CC[C@H]4[C@H]3C[C@@h]5[C@]6([C@@]4(C(=O)C=C[C@@h]6O)C)O5)C)CO'
Tannins
'tannic acid' : ' C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OC[C@@h]3C@HOC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O'
Terpenes
'betulinic acid' : ' CC(=C)[C@@h]1CC[C@]2([C@H]1[C@H]3CC[C@@h]4[C@]5(CCC@@HO)C)C(=O)O'
'cedrol' : ' C[C@@h]1CC[C@@h]2[C@]13CCC@@(C)O' 
'coronarin d' : ' CC1(CCCC2(C1CCC(=C)C2CC=C3CC(OC3=O)O)C)C'
'eucalyptal a' : ' CC(C)C[C@@h]1C2=C(C(=C(C(=C2O[C@@h]3[C@@]1(CC[C@@]4([C@H]3C@@HC(=C)C)O)C)C=O)O)C=O)O'
'gossypol' : 'CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O'
'paeoniflorin' : 'C[C@]12C[C@@]3([C@@h]4C[C@]1([C@@]4(C@HO3)COC(=O)C5=CC=CC=C5)O[C@H]6C@@HO)O'
'saponin h' : 'CC(=CC(CC1(C(O1)C2CCC3C4(CCC(C(C4CCC3(C25CC(=O)OC5)C)(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C'
'pisosterol' : 'CC@@HC@HOC(=O)C'
'rupesin e' : 'CC(C)CC(=O)O[C@H]1[C@H]2[C@@h]3CC@@HO'
'tubeimoside-1' : ' C[C@H]1C@@HO'

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