id | C00033827 |
---|---|
Name | Eryngioside E / (-)-Eryngioside E |
CAS RN | 1039557-68-0 |
Standard InChI | InChI=1S/C52H82O22/c1-10-21(2)43(67)74-41-40(64)47(3,4)17-23-22-11-12-27-49(7)15-14-28(48(5,6)26(49)13-16-50(27,8)51(22,9)38(62)39(63)52(23,41)20-54)70-46-37(73-45-33(60)31(58)30(57)25(18-53)69-45)35(34(61)36(72-46)42(65)66)71-44-32(59)29(56)24(55)19-68-44/h10-11,23-41,44-46,53-64H,12-20H2,1-9H3,(H,65,66)/b21-10-/t23-,24-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34-,35-,36-,37+,38-,39+,40-,41-,44-,45-,46?,49-,50+,51-,52-/m0/s1 |
Standard InChI (Main Layer) | InChI=1S/C52H82O22/c1-10-21(2)43(67)74-41-40(64)47(3,4)17-23-22-11-12-27-49(7)15-14-28(48(5,6)26(49)13-16-50(27,8)51(22,9)38(62)39(63)52(23,41)20-54)70-46-37(73-45-33(60)31(58)30(57)25(18-53)69-45)35(34(61)36(72-46)42(65)66)71-44-32(59)29(56)24(55)19-68-44/h10-11,23-41,44-46,53-64H,12-20H2,1-9H3,(H,65,66) |
Phytochemical cluster | No. 51 |
---|---|
KCF-S cluster | No. 4 |
By standard InChI | |
---|---|
By standard InChI Main Layer | CHEMBL1095019 |
By LinkDB |
---|
By CAS RN |
---|
KNApSAcK organism | *ID | *family | *plant class | *kingdom |
---|---|---|---|---|
Eryngium yuccifolium | 90460 | Apiaceae | asterids | Viridiplantae |
accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
---|---|---|---|---|---|
P11387 | DNA topoisomerase 1 | Isomerase | CHEMBL1095019 |
CHEMBL1111926
(1)
|
0 / 0 |
P11388 | DNA topoisomerase 2-alpha | Isomerase | CHEMBL1095019 |
CHEMBL1111927
(1)
|
0 / 0 |