Solamargine
Solamargine
Names
IUPAC name
(22R ,25R )-Spirosol-5-en-3β-yl α-L -rhamnopyranosyl-(1→2)-[α-L -rhamnopyranosyl-(1→4)]-β-D -glucopyranoside
Systematic IUPAC name
(2S ,2′S ,3R ,3′R ,4R ,4′R ,5R ,5′R ,6S ,6′S )-2,2′-{[(2R ,3S ,4S ,5R ,6R )-4-Hydroxy-2-(hydroxymethyl)-6-{[(2S ,2′R ,4aR ,4bS ,5′R ,6aS ,6bR ,7S ,9aS ,10aS ,10bS )-4a,5′,6a,7-tetramethyl-1,2,3,4,4a,4b,5,6,6a,6b,7,9a,10,10a,10b,11-hexadecahydrospiro[naptho[2′,1′:4,5]indeno[2,1-b ]furan-8,2′-piperidin]-2-yl]oxy}oxane-3,5-diyl]bis(oxy)}bis(6-methyloxane-3,4,5-triol)
Other names
Solamargin; δ-Solanigrine
Identifiers
ChEMBL
ChemSpider
UNII
InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1
Y Key: MBWUSSKCCUMJHO-ZGXDEBHDSA-N
Y InChI=1/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1
Key: MBWUSSKCCUMJHO-ZGXDEBHDBL
O([C@H]8[C@H](O[C@@H]5C/C4=C/C[C@H]3[C@@H]6C[C@@H]2O[C@@]1(NC[C@H](C)CC1)[C@@H](C)[C@@H]2[C@@]6(C)CC[C@@H]3[C@@]4(C)CC5)O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@@H]8O)[C@@H]9O[C@H]([C@H](O)[C@@H](O)[C@H]9O)C
Properties
C 45 H 73 N O 15
Molar mass
868.071 g·mol−1
Except where otherwise noted, data are given for materials in their
standard state (at 25 °C [77 °F], 100 kPa).
Chemical compound
Solamargine is a cytotoxic chemical compound that occurs in plants of the family Solanaceae , such as potatoes , tomatoes , and eggplants .[ 1] [ 2] It has been also isolated from Solanum nigrum fungal endophyte Aspergillus flavus .[ 3] It is a glycoalkaloid derived from the steroidal alkaloid solasodine .
Solamargine was one component of the unsuccessful experimental cancer drug candidate Coramsine .
See also
References
External links