Racemomycin D

Details

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Internal ID 6849797e-0a03-48b2-afde-ed4deb0cb616
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Glycosylamines
IUPAC Name [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate
SMILES (Canonical) C1C(C2C(C(=O)N1)N=C(N2)NC3C(C(C(C(O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(CCCN)N)N)N)N)O
SMILES (Isomeric) C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCN)N)N)N)N)O
InChI InChI=1S/C37H70N14O11/c38-9-1-5-19(39)13-25(54)44-10-2-6-20(40)14-26(55)45-11-3-7-21(41)15-27(56)46-12-4-8-22(42)16-28(57)48-31-32(58)33(62-36(43)60)24(18-52)61-35(31)51-37-49-29-23(53)17-47-34(59)30(29)50-37/h19-24,29-33,35,52-53,58H,1-18,38-42H2,(H2,43,60)(H,44,54)(H,45,55)(H,46,56)(H,47,59)(H,48,57)(H2,49,50,51)/t19-,20-,21-,22-,23+,24+,29+,30-,31+,32-,33-,35+/m0/s1
InChI Key UZMKRCMBWWXPBP-CSVBCEEXSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C37H70N14O11
Molecular Weight 887.00 g/mol
Exact Mass 886.53484910 g/mol
Topological Polar Surface Area (TPSA) 434.00 Ų
XlogP -8.20

Synonyms

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3776-36-1
Streptothricin C
[(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate
Antibiotic OP 2D
CHEMBL4447098
4H-Imidazo(4,5-c)pyridin-4-one, 2-((2-(3-amino-6-(3-amino-6-(3-amino-6-(3,6-diaminohexanamido)hexanamido)hexanamido)hexanamido)-2-deoxy-beta-D-gulopyranosyl)amino)-3,3a,5,6-7,7a-hexahydro-7-hydroxy-, 6'-carbamate

2D Structure

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2D Structure of Racemomycin D

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 99.50% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.27% 96.09%
CHEMBL4040 P28482 MAP kinase ERK2 98.24% 83.82%
CHEMBL3137262 O60341 LSD1/CoREST complex 97.77% 97.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.84% 94.45%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 96.18% 96.21%
CHEMBL2094135 Q96BI3 Gamma-secretase 93.92% 98.05%
CHEMBL2581 P07339 Cathepsin D 93.78% 98.95%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 92.83% 89.34%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.68% 99.17%
CHEMBL204 P00734 Thrombin 91.88% 96.01%
CHEMBL5103 Q969S8 Histone deacetylase 10 91.15% 90.08%
CHEMBL2996 Q05655 Protein kinase C delta 89.96% 97.79%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.76% 99.23%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 89.54% 98.33%
CHEMBL2514 O95665 Neurotensin receptor 2 88.68% 100.00%
CHEMBL4581 P52732 Kinesin-like protein 1 88.41% 93.18%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 87.89% 85.00%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 87.58% 96.90%
CHEMBL3437 Q16853 Amine oxidase, copper containing 86.88% 94.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 86.61% 94.33%
CHEMBL1628481 P35414 Apelin receptor 86.47% 97.89%
CHEMBL4630 O14757 Serine/threonine-protein kinase Chk1 86.46% 97.03%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 85.39% 95.50%
CHEMBL4101 P17612 cAMP-dependent protein kinase alpha-catalytic subunit 85.02% 82.86%
CHEMBL2208 P49137 MAP kinase-activated protein kinase 2 84.65% 95.20%
CHEMBL2072 P35499 Sodium channel protein type IV alpha subunit 84.42% 92.32%
CHEMBL3401 O75469 Pregnane X receptor 83.47% 94.73%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 83.42% 95.64%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 82.74% 95.71%
CHEMBL2492 P36544 Neuronal acetylcholine receptor protein alpha-7 subunit 82.43% 88.42%
CHEMBL1075317 P61964 WD repeat-containing protein 5 81.83% 96.33%
CHEMBL3392948 Q9NP59 Solute carrier family 40 member 1 81.75% 95.00%
CHEMBL4296 Q15858 Sodium channel protein type IX alpha subunit 81.62% 96.11%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 80.68% 97.29%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.43% 90.71%
CHEMBL3038469 P24941 CDK2/Cyclin A 80.37% 91.38%
CHEMBL226 P30542 Adenosine A1 receptor 80.34% 95.93%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.24% 95.89%

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 165157
LOTUS LTS0098993
wikiData Q105282320