PCIDB

KNApSAcK Metabolite C00040906

Metabolite

KNApSAcK Entry

id C00040906
Name Calcicolin B / (-)-Calcicolin B
CAS RN 220997-67-1
Standard InChI InChI=1S/C24H32O8/c1-10-13-7-14(31-11(2)25)18-23(6)16(28)8-15(27)22(4,5)19(23)17(29)21(32-12(3)26)24(18,9-13)20(10)30/h13-16,18-19,21,27-28H,1,7-9H2,2-6H3/t13-,14+,15+,16+,18+,19-,21+,23+,24+/m1/s1
Standard InChI (Main Layer) InChI=1S/C24H32O8/c1-10-13-7-14(31-11(2)25)18-23(6)16(28)8-15(27)22(4,5)19(23)17(29)21(32-12(3)26)24(18,9-13)20(10)30/h13-16,18-19,21,27-28H,1,7-9H2,2-6H3

Cluster

Phytochemical cluster No. 41
KCF-S cluster No. 63

Link

ChEMBL

By standard InChI CHEMBL511941
By standard InChI Main Layer CHEMBL511941

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 2

Family

family name count
Lamiaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Isodon adenantha 204130 Lamiaceae asterids Viridiplantae
Isodon calcicola 662906 Lamiaceae asterids Viridiplantae