PCIDB

KNApSAcK Metabolite C00038605

Metabolite

KNApSAcK Entry

id C00038605
Name Bisaprasin
CAS RN 112514-43-9
Standard InChI InChI=1S/C44H46Br4N8O12S4/c45-29-15-23(1-3-37(29)57)19-33(53-65)41(61)49-5-9-69-71-11-7-51-43(63)35(55-67)21-25-13-27(39(59)31(47)17-25)28-14-26(18-32(48)40(28)60)22-36(56-68)44(64)52-8-12-72-70-10-6-50-42(62)34(54-66)20-24-2-4-38(58)30(46)16-24/h1-4,13-18,57-60,65-68H,5-12,19-22H2,(H,49,61)(H,50,62)(H,51,63)(H,52,64)/b53-33+,54-34+,55-35+,56-36+
Standard InChI (Main Layer) InChI=1S/C44H46Br4N8O12S4/c45-29-15-23(1-3-37(29)57)19-33(53-65)41(61)49-5-9-69-71-11-7-51-43(63)35(55-67)21-25-13-27(39(59)31(47)17-25)28-14-26(18-32(48)40(28)60)22-36(56-68)44(64)52-8-12-72-70-10-6-50-42(62)34(54-66)20-24-2-4-38(58)30(46)16-24/h1-4,13-18,57-60,65-68H,5-12,19-22H2,(H,49,61)(H,50,62)(H,51,63)(H,52,64)

Cluster

Phytochemical cluster
KCF-S cluster No. 6102

Link

ChEMBL

By standard InChI CHEMBL476440
By standard InChI Main Layer CHEMBL476440

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Pseudoceratinidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Pseudoceratina purpurea 1162763 Pseudoceratinidae Metazoa