(Q104973216)

English

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

group of stereoisomers with the chemical formula C₄₈H₆₈N₂O₁₆

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Statements

instance of

group of stereoisomers

0 references

subclass of

anthracycline polyketide

1 reference

inferred from

anthracycline polyketide

mass

928.456884096 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₈H₆₈N₂O₁₆

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)C(O)C6)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

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C48H68N2O16/c1-10-48(66-36-16-27(49(6)7)41(54)22(3)60-36)19-26-38(45(58)39-40(43(26)56)44(57)37-25(42(39)55)12-11-13-30(37)52)32(20-48)63-34-17-28(50(8)9)46(23(4)61-34)65-35-18-31(53)47(24(5)62-35)64-33-15-14-29(51)21(2)59-33/h11-13,21-24,27-29,31-36,41,46-47,51-54,56,58H,10,14-20H2,1-9H3

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InChIKey

CZVPXGLWFULEJB-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CZVPXGLWFULEJB-UHFFFAOYSA-N

(Q104973216)

7-[4-(dimethylamino)-5-[4-hydroxy-5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-[4-(dimethylamino)-5-hydroxy-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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