(Q104907925)

English

AAGNHEFESXZZGI-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₉₈H₁₅₅NO₄₅

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Statements

group of stereoisomers

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2,6-dimethyloctane monoterpenoid

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2,6-dimethyloctane monoterpenoid

oleanane triterpenoid

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oleanane triterpenoid

2,067.2629 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₉₈H₁₅₅NO₄₅

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canonical SMILES

C=CC(C)(O)CCC=C(C)C(=O)OC1C(C)OC(OC(C)(C=C)CCC=C(CO)C(=O)OC2CC3(C(=O)OC4OC(CO)C(O)C(O)C4OC4OC(C)C(OC5OC(CO)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(COC8OC(C)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C(O)C7NC(C)=O)C(C)(C)C6CCC54C)C3CC2(C)C)C(O)C1O

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Acacia victoriae

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Avicins, a family of triterpenoid saponins from Acacia victoriae (Bentham), inhibit activation of nuclear factor-kappaB by inhibiting both its nuclear localization and ability to bind DNA

Avicins: triterpenoid saponins from Acacia victoriae (Bentham) induce apoptosis by mitochondrial perturbation

Identifiers

InChI=1S/C98H155NO45/c1-17-93(12,126)27-19-21-40(3)80(123)138-75-42(5)131-87(73(121)69(75)117)144-94(13,18-2)28-20-22-45(34-100)81(124)136-57-33-98(90(125)143-89-79(68(116)62(110)50(36-102)134-89)142-86-74(122)77(140-85-72(120)66(114)61(109)49(35-101)132-85)76(43(6)130-86)139-84-71(119)63(111)51(37-103)133-84)47(31-91(57,8)9)46-23-24-54-95(14)29-26-56(92(10,11)53(95)25-30-96(54,15)97(46,16)32-55(98)106)137-82-58(99-44(7)104)65(113)64(112)52(135-82)39-128-88-78(67(115)59(107)41(4)129-88)141-83-70(118)60(108)48(105)38-127-83/h17-18,21-23,41-43,47-79,82-89,100-103,105-122,126H,1-2,19-20,24-39H2,3-16H3,(H,99,104)

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AAGNHEFESXZZGI-UHFFFAOYSA-N

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3 references

26 December 2021

15 September 2022

matched by identifier from

AAGNHEFESXZZGI-UHFFFAOYSA-N

UniChem compound ID

1 reference

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