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Substance Name: Thielocin B3
RN: 143716-44-3
InChIKey: SJKGYSSWTDGUHO-UHFFFAOYSA-N

Note

  • A group II phospholipase A2 inhibitor isolated from Ascomycetes.

Molecular Formula

  • C62-H66-O20

Molecular Weight

  • 1131.1834
 
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Names and Synonyms

Name of Substance

  • Thielocin B3

Synonyms

  • 1-(4-((4-Carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl)-3-methoxy-2,5,6-trimethylphenyl) 3-((3-((4-((4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl)-3-methoxy-2,5,6-trimethylphenoxy)carbonyl)-2,6-dihydroxy-4-methylphenyl)methyl)-2,4-dihydroxy-3,6-dimethylbenzoate
  • Thielocin-B3

Systematic Name

  • Benzoic acid, 3-((3-((4-((4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl)-3-methoxy-2,5,6-trimethylphenoxy)carbonyl)-2,6-dihydroxy-4-methylphenyl)methyl)-2,4-dihydroxy-3,6-dimethyl-, 1-(4-((4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl)-3-methoxy-2,5,6-trimethylphenyl) ester

Registry Numbers

CAS Registry Number

  • 143716-44-3

System Generated Number

  • 0143716443

Structure Descriptors

InChI

1S/C62H66O20/c1-22-23(2)45(61(74)81-51-27(6)24(3)43(58(69)70)55(77-16)33(51)12)54(76-15)32(11)41(22)47-37(21-40(64)65)30(9)48(66)38(50(47)68)19-36-20-39(63)31(10)42(49(36)67)60(73)80-53-29(8)26(5)46(57(79-18)35(53)14)62(75)82-52-28(7)25(4)44(59(71)72)56(78-17)34(52)13/h20,63,66-68H,19,21H2,1-18H3,(H,64,65)(H,69,70)(H,71,72)

InChIKey

SJKGYSSWTDGUHO-UHFFFAOYSA-N

Smiles

Cc1c(c(c(c(c1c2c(c(c(c(c2O)Cc3cc(c(c(c3O)C(=O)Oc4c(c(c(c(c4C)OC)C(=O)Oc5c(c(c(c(c5C)OC)C(=O)O)C)C)C)C)C)O)O)C)CC(=O)O)C)OC)C(=O)Oc6c(c(c(c(c6C)OC)C(=O)O)C)C)C