PCIDB

KNApSAcK Metabolite C00037458

Metabolite

KNApSAcK Entry

id C00037458
Name Macrocalin B
CAS RN 93781-75-0
Standard InChI InChI=1S/C20H26O6/c1-8-9-7-10(21)11-18-6-4-5-17(2,3)12(18)14(23)20(24)19(11,13(8)22)15(9)25-16(18)26-20/h9-12,14-16,21,23-24H,1,4-7H2,2-3H3/t9-,10-,11-,12+,14-,15-,16-,18?,19?,20+/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H26O6/c1-8-9-7-10(21)11-18-6-4-5-17(2,3)12(18)14(23)20(24)19(11,13(8)22)15(9)25-16(18)26-20/h9-12,14-16,21,23-24H,1,4-7H2,2-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 83

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL401208

KEGG

By LinkDB

CTD

By CAS RN C045862

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 enanderianus 986860 Lamiaceae asterids Viridiplantae
Isodon xerophilus 662931 Lamiaceae asterids Viridiplantae