(Q105104668)

English

{[(3R,4S,5R,6R)-5-hydroxy-6-({2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-4-oxochromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acid

chemical compound

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instance of

type of chemical entity

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subclass of

biogenic chromone

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mass

612.231909972 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₆N₂O₁₁

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canonical SMILES

COC1C(OC(N)=O)C(O)C(Oc2ccc3c(=O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(O)oc3c2C)OC1(C)C

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isomeric SMILES

CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(=O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(O)oc3c2C)OC1(C)C

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found in taxon

Escherichia coli

1 reference

stated in

A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.

Nocardiopsis gilva

1 reference

stated in

Isolation and characterization of new p-Terphenyls with antifungal, antibacterial, and antioxidant activities from halophilic actinomycete Nocardiopsis gilva YIM 90087.

Streptomyces niveus

2 references

stated in

Studies on the biosynthesis of terpenoid compounds produced by actinomycetes. 3. Biosynthesis of the isoprenoid side chain of novobiocin via the non-mevalonate pathway in Streptomyces niveus

stated in

Biosynthesis of the dimethylallyl moiety of novobiocin via a non-mevalonate pathway

Streptomyces

1 reference

stated in

Tyrosine derivatives isolated from Streptomyces sp. IFM 10937 in a screening program for TRAIL-resistance-overcoming activity

Actinoalloteichus cyanogriseus

2 references

stated in

Biosynthesis of the dimethylallyl moiety of novobiocin via a non-mevalonate pathway

stated in

Studies on the biosynthesis of terpenoid compounds produced by actinomycetes. 3. Biosynthesis of the isoprenoid side chain of novobiocin via the non-mevalonate pathway in Streptomyces niveus

Identifiers

InChI

InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34,36,38H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1

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InChIKey

DYYIUCVAQGRACE-KGSXXDOSSA-N

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1 reference

17 September 2022

inferred from InChIKey

Probes And Drugs ID

PD014050

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(Q105104668)

{[(3R,4S,5R,6R)-5-hydroxy-6-({2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-4-oxochromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acid

Statements

Identifiers

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