id | C00034793 |
---|---|
Name | Aesculioside IVc / (-)-Aesculioside IVc |
CAS RN | 886840-44-4 |
Standard InChI | InChI=1S/C57H90O22/c1-12-25(3)47(70)78-44-45(79-48(71)26(4)13-2)57(24-60)28(20-52(44,5)6)27-14-15-32-54(9)18-17-34(53(7,8)31(54)16-19-55(32,10)56(27,11)21-33(57)61)74-51-43(77-50-39(66)37(64)35(62)29(22-58)72-50)41(40(67)42(76-51)46(68)69)75-49-38(65)36(63)30(23-59)73-49/h12,14,26,28-45,49-51,58-67H,13,15-24H2,1-11H3,(H,68,69)/b25-12-/t26?,28-,29+,30-,31-,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+,44-,45-,49-,50-,51+,54-,55+,56+,57-/m0/s1 |
Standard InChI (Main Layer) | InChI=1S/C57H90O22/c1-12-25(3)47(70)78-44-45(79-48(71)26(4)13-2)57(24-60)28(20-52(44,5)6)27-14-15-32-54(9)18-17-34(53(7,8)31(54)16-19-55(32,10)56(27,11)21-33(57)61)74-51-43(77-50-39(66)37(64)35(62)29(22-58)72-50)41(40(67)42(76-51)46(68)69)75-49-38(65)36(63)30(23-59)73-49/h12,14,26,28-45,49-51,58-67H,13,15-24H2,1-11H3,(H,68,69) |
Phytochemical cluster | No. 51 |
---|---|
KCF-S cluster | No. 4 |
By standard InChI | CHEMBL1094679 |
---|---|
By standard InChI Main Layer | CHEMBL1094679 |
By LinkDB |
---|
By CAS RN |
---|
class name | count |
---|---|
rosids | 1 |
family name | count |
---|---|
Hippocastanaceae | 1 |
KNApSAcK organism | *ID | *family | *plant class | *kingdom |
---|---|---|---|---|
Aesculus pavia | 43872 | Hippocastanaceae | rosids | Viridiplantae |
accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
---|---|---|---|---|---|
P11387 | DNA topoisomerase 1 | Isomerase | CHEMBL1094679 |
CHEMBL1111926
(1)
CHEMBL1110073
(1)
CHEMBL1110076 (1) CHEMBL1110077 (1) CHEMBL1110078 (1) |
0 / 0 |
P11388 | DNA topoisomerase 2-alpha | Isomerase | CHEMBL1094679 |
CHEMBL1111927
(1)
|
0 / 0 |