(Q82903114)

English

9-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-7-[4-(dimethylamino)-5-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,6,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

anthracycline polyketide

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mass

912.461969476 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₈H₆₈N₂O₁₅

0 references

canonical SMILES

O=C1C=2C=CC=C(O)C2C(=O)C=3C(O)=C4C(=C(O)C13)C(OC5OC(C)C(OC6OC(C)C(OC7OC(C)C(O)CC7)CC6)C(N(C)C)C5)CC(OC8OC(C)C(O)C(N(C)C)C8)(C4)CC

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found in taxon

Streptomyces

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stated in

The new cytotoxic antibiotic cytorhodin X, an unusual anthracyclinone-9.ALPHA.-glycoside.

stated in

The new cytotoxic antibiotic cytorhodin X, an unusual anthracyclinone-9.ALPHA.-glycoside.

stated in

CytA, a reductase in the cytorhodin biosynthesis pathway, inactivates anthracycline drugs in Streptomyces

Identifiers

InChI

InChI=1S/C48H68N2O15/c1-10-48(65-37-18-28(49(6)7)42(53)24(4)60-37)20-27-39(46(57)40-41(44(27)55)45(56)38-26(43(40)54)12-11-13-31(38)52)33(21-48)63-36-19-29(50(8)9)47(25(5)61-36)64-35-17-15-32(23(3)59-35)62-34-16-14-30(51)22(2)58-34/h11-13,22-25,28-30,32-37,42,47,51-53,55,57H,10,14-21H2,1-9H3

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InChIKey

LDUVDGXPXDRENL-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LDUVDGXPXDRENL-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

LDUVDGXPXDRENL-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID101357110

0 references

(Q82903114)

9-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-7-[4-(dimethylamino)-5-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,6,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Statements

Identifiers

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