KNApSAcK Metabolite C00040671
Metabolite
KNApSAcK Entry
| id | C00040671 |
|---|---|
| Name | Xanifolia Y10 |
| CAS RN | 852361-62-7 |
| Standard InChI | InChI=1S/C57H88O22/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/h12-14,28-45,49-51,58-67H,15-24H2,1-11H3,(H,68,69)/b25-12-,26-13-/t28-,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/C57H88O22/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/h12-14,28-45,49-51,58-67H,15-24H2,1-11H3,(H,68,69) |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 4 |
Link
ChEMBL
| By standard InChI | CHEMBL1094675 |
|---|---|
| By standard InChI Main Layer | CHEMBL1094675 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Xanthoceraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Xanthoceras sorbifolia | 99658 | Xanthoceraceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P11387 | DNA topoisomerase 1 | Isomerase | CHEMBL1094675 |
CHEMBL1111926
(1)
CHEMBL1110070
(1)
CHEMBL1110073 (1) CHEMBL1110076 (1) CHEMBL1110077 (1) CHEMBL1110078 (1) |
0 / 0 |
| P11388 | DNA topoisomerase 2-alpha | Isomerase | CHEMBL1094675 |
CHEMBL1111927
(1)
|
0 / 0 |