KNApSAcK Metabolite C00002932
Metabolite
KNApSAcK Entry
| id | C00002932 |
|---|---|
| Name | Pedunculagin |
| CAS RN | 7045-42-3 |
| Standard InChI | InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14?,27-,28+,29?,34?/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2 |
Cluster
| Phytochemical cluster | No. 81 |
|---|---|
| KCF-S cluster | No. 226 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL292719 CHEMBL506204 |
KEGG
| By LinkDB | C10236 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 15 |
Family
| family name | count |
|---|---|
| Melastomataceae | 6 |
| Rosaceae | 3 |
| Casuarinaceae | 2 |
| Fagaceae | 1 |
| Stachyuraceae | 1 |
| Juglandaceae | 1 |
| Myrtaceae | 1 |
List (15)
* NCBI
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P00742 | Coagulation factor X | S1A | CHEMBL506204 |
CHEMBL1007649
(1)
CHEMBL1007650
(1)
|
1 / 0 |