Pamamycin

Details

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Internal ID 80c19c4b-debd-457e-aae2-8e2d38d6d934
Taxonomy Phenylpropanoids and polyketides > Macrolides and analogues
IUPAC Name (1R,2S,5S,6R,7S,10R,11R,14S,16S)-5-[(1R)-1-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]ethyl]-2,6,11-trimethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C35H61NO7/c1-9-11-25(36(7)8)19-27-13-15-29(39-27)21(3)33-22(4)30-17-18-32(42-30)24(6)34(37)41-26(12-10-2)20-28-14-16-31(40-28)23(5)35(38)43-33/h21-33H,9-20H2,1-8H3/t21-,22-,23+,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+/m1/s1
InChI Key AHOIPAFUOXGGQB-IKNPUDIKSA-N
Popularity 29 references in papers

Physical and Chemical Properties

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Molecular Formula C35H61NO7
Molecular Weight 607.90 g/mol
Exact Mass 607.44480328 g/mol
Topological Polar Surface Area (TPSA) 83.50 Ų
XlogP 7.20

Synonyms

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Pamamycin-607
Panamycin 607
Pamamycin
[(1R)-1-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]tetrahydrofuran-2-yl]ethyl]-trimethyl-propyl-[?]dione
4,13,19,20-Tetraoxatricyclo[14.2.1.17,10]eicosane-3,12-dione, 5-[(1R)-1-[5-[(2R)-2-(dimethylamino)pentyl]tetrahydro-2-furanyl]ethyl]-2,6,11-trimethyl-14-propyl-, (1R,2S,5S,6R,7S,10R,11R,14S,16S)-
9XB

2D Structure

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2D Structure of Pamamycin

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 96.98% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.31% 96.09%
CHEMBL2581 P07339 Cathepsin D 93.67% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 90.79% 94.73%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.29% 97.09%
CHEMBL4105838 Q96GG9 DCN1-like protein 1 89.06% 95.00%
CHEMBL221 P23219 Cyclooxygenase-1 88.06% 90.17%
CHEMBL2094135 Q96BI3 Gamma-secretase 87.15% 98.05%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 86.13% 93.00%
CHEMBL2996 Q05655 Protein kinase C delta 86.00% 97.79%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.27% 89.00%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 85.19% 96.47%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 84.78% 89.34%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 84.44% 96.77%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 83.76% 95.89%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.45% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.88% 99.17%
CHEMBL274 P51681 C-C chemokine receptor type 5 82.38% 98.77%
CHEMBL255 P29275 Adenosine A2b receptor 82.12% 98.59%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.95% 90.71%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 80.71% 98.33%
CHEMBL4588 P22894 Matrix metalloproteinase 8 80.01% 94.66%

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 10100233
LOTUS LTS0030454
wikiData Q76415107