PCIDB

KNApSAcK Metabolite C00009186

Metabolite

KNApSAcK Entry

id C00009186
Name Cinchonanin IIa / Cinchonain-1a-(4beta->8)-epicatechin
CAS RN 85081-23-8
Standard InChI InChI=1S/C39H32O15/c40-19-4-1-14(7-23(19)44)17-11-30(50)52-29-13-27(48)33-34(35(51)37(54-39(33)31(17)29)16-3-6-21(42)25(46)9-16)32-26(47)12-22(43)18-10-28(49)36(53-38(18)32)15-2-5-20(41)24(45)8-15/h1-9,12-13,17,28,34-37,40-49,51H,10-11H2/t17-,28+,34-,35+,36+,37+/m0/s1
Standard InChI (Main Layer) InChI=1S/C39H32O15/c40-19-4-1-14(7-23(19)44)17-11-30(50)52-29-13-27(48)33-34(35(51)37(54-39(33)31(17)29)16-3-6-21(42)25(46)9-16)32-26(47)12-22(43)18-10-28(49)36(53-38(18)32)15-2-5-20(41)24(45)8-15/h1-9,12-13,17,28,34-37,40-49,51H,10-11H2

Cluster

Phytochemical cluster No. 19
KCF-S cluster No. 29

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL491581

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1
rosids 1

Family

family name count
Rubiaceae 1
Rhizophoraceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Cinchona succirubra 43462 Rubiaceae asterids Viridiplantae
Kandelia candel 61147 Rhizophoraceae rosids Viridiplantae