Metabolite

KNApSAcK Entry

id C00044666
Name Cratoxyarborequinone A / (-)-Cratoxyarborequinone A
CAS RN 410095-68-0
Standard InChI InChI=1S/C44H46O9/c1-23(2)12-11-13-25(5)16-17-53-34-22-32(46)39(40(47)27-14-9-8-10-15-27)44(51)37(34)28(18-24(3)4)36-33(52-7)21-30-38(43(36)50)42(49)35-29(41(30)48)19-26(6)20-31(35)45/h8-10,12,14-16,19-22,24,28,45-46,50-51H,11,13,17-18H2,1-7H3/b25-16+
Standard InChI (Main Layer) InChI=1S/C44H46O9/c1-23(2)12-11-13-25(5)16-17-53-34-22-32(46)39(40(47)27-14-9-8-10-15-27)44(51)37(34)28(18-24(3)4)36-33(52-7)21-30-38(43(36)50)42(49)35-29(41(30)48)19-26(6)20-31(35)45/h8-10,12,14-16,19-22,24,28,45-46,50-51H,11,13,17-18H2,1-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 4885

Link

ChEMBL

By standard InChI CHEMBL448890
By standard InChI Main Layer CHEMBL448890

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Hypericaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Cratoxylum sumatranum 198760 Hypericaceae rosids Viridiplantae