PCIDB

KNApSAcK Metabolite C00040046

Metabolite

KNApSAcK Entry

id C00040046
Name Polydiscamide D / (+)-Polydiscamide D
CAS RN 1005109-68-1
Standard InChI InChI=1S/C73H105BrN18O21S/c1-36(2)55(86-65(103)52-20-14-28-91(52)68(106)47(83-59(97)38(5)80-35-93)30-40-21-23-42(74)24-22-40)66(104)89-58(73(7,8)9)67(105)82-46(31-41-33-79-44-17-12-11-16-43(41)44)61(99)81-45(18-13-27-78-72(76)77)60(98)85-49(34-114(110,111)112)62(100)88-57-39(6)113-71(109)48(32-54(95)96)84-64(102)51-19-15-29-92(51)70(108)56(37(3)4)87-63(101)50(25-26-53(75)94)90(10)69(57)107/h11-12,16-17,21-24,33,35-39,45-52,55-58,79H,13-15,18-20,25-32,34H2,1-10H3,(H2,75,94)(H,80,93)(H,81,99)(H,82,105)(H,83,97)(H,84,102)(H,85,98)(H,86,103)(H,87,101)(H,88,100)(H,89,104)(H,95,96)(H4,76,77,78)(H,110,111,112)/t38-,39-,45+,46-,47+,48-,49-,50+,51+,52+,55-,56-,57+,58-/m1/s1
Standard InChI (Main Layer) InChI=1S/C73H105BrN18O21S/c1-36(2)55(86-65(103)52-20-14-28-91(52)68(106)47(83-59(97)38(5)80-35-93)30-40-21-23-42(74)24-22-40)66(104)89-58(73(7,8)9)67(105)82-46(31-41-33-79-44-17-12-11-16-43(41)44)61(99)81-45(18-13-27-78-72(76)77)60(98)85-49(34-114(110,111)112)62(100)88-57-39(6)113-71(109)48(32-54(95)96)84-64(102)51-19-15-29-92(51)70(108)56(37(3)4)87-63(101)50(25-26-53(75)94)90(10)69(57)107/h11-12,16-17,21-24,33,35-39,45-52,55-58,79H,13-15,18-20,25-32,34H2,1-10H3,(H2,75,94)(H,80,93)(H,81,99)(H,82,105)(H,83,97)(H,84,102)(H,85,98)(H,86,103)(H,87,101)(H,88,100)(H,89,104)(H,95,96)(H4,76,77,78)(H,110,111,112)

Cluster

Phytochemical cluster
KCF-S cluster No. 2212

Link

ChEMBL

By standard InChI CHEMBL256131
By standard InChI Main Layer CHEMBL256131

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Ircinia sp.