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Plicacetin

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

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Internal ID bc5d6f99-d8de-4913-8d94-a9dfcad8a066
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides
IUPAC Name 4-amino-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C25H35N5O7/c1-13-17(37-24-22(32)21(31)20(29(3)4)14(2)36-24)9-10-19(35-13)30-12-11-18(28-25(30)34)27-23(33)15-5-7-16(26)8-6-15/h5-8,11-14,17,19-22,24,31-32H,9-10,26H2,1-4H3,(H,27,28,33,34)
InChI Key NFOMJDXALJABQF-UHFFFAOYSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C25H35N5O7
Molecular Weight 517.60 g/mol
Exact Mass 517.25364847 g/mol
Topological Polar Surface Area (TPSA) 159.00 Ų
XlogP 0.00

Synonyms

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Amicetin B
43043-15-8
4-amino-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide
4-Amino-N-[1-[(2R)-5alpha-[[4,6-dideoxy-4-dimethylamino-alpha-D-glucopyranosyl]oxy]tetrahydro-6beta-methyl-2H-pyran-2beta-yl]-1,2-dihydro-2-oxopyrimidin-4-yl]benzamide
BRN 0100618
Benzamide, 4-amino-N-(1-(5-((4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-1,2-dihydro-2-oxo-4-pyrimidinyl)-, (2R-(2-alpha,5-beta,6-alpha))-
DTXSID70962868
BS-1568
4-Amino-N-[1-(5-{[4,6-dideoxy-4-(dimethylamino)hexopyranosyl]oxy}-6-methyloxan-2-yl)-2-hydroxypyrimidin-4(1H)-ylidene]benzamide
4-amino-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide

2D Structure

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2D Structure of Plicacetin

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.88% 96.09%
CHEMBL4072 P07858 Cathepsin B 94.52% 93.67%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 93.85% 93.10%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.20% 99.17%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 92.64% 90.71%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 90.79% 81.11%
CHEMBL4040 P28482 MAP kinase ERK2 90.72% 83.82%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.58% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.51% 99.23%
CHEMBL3137261 O14744 PRMT5/MEP50 complex 89.00% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.77% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.27% 97.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.20% 94.00%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 86.40% 95.89%
CHEMBL2581 P07339 Cathepsin D 85.94% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 85.57% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.48% 89.00%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 84.26% 94.42%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 84.04% 100.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.99% 95.56%
CHEMBL3384 Q16512 Protein kinase N1 83.58% 80.71%
CHEMBL4208 P20618 Proteasome component C5 83.16% 90.00%
CHEMBL340 P08684 Cytochrome P450 3A4 82.83% 91.19%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 80.09% 87.67%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 206175
LOTUS LTS0233399
wikiData Q82944646