PCIDB

KNApSAcK Metabolite C00044976

Metabolite

KNApSAcK Entry

id C00044976
Name Orthosiphol R / (-)-Orthosiphol R
CAS RN 460741-47-3
Standard InChI InChI=1S/C38H44O12/c1-8-36(6)29(42)27(49-32(43)22-15-11-9-12-16-22)28-37(7)24(19-25(47-20(2)39)38(28,46)34(36)45)35(4,5)30(48-21(3)40)26(41)31(37)50-33(44)23-17-13-10-14-18-23/h8-18,24-31,41-42,46H,1,19H2,2-7H3/t24-,25+,26-,27-,28+,29-,30+,31-,36-,37-,38-/m0/s1
Standard InChI (Main Layer) InChI=1S/C38H44O12/c1-8-36(6)29(42)27(49-32(43)22-15-11-9-12-16-22)28-37(7)24(19-25(47-20(2)39)38(28,46)34(36)45)35(4,5)30(48-21(3)40)26(41)31(37)50-33(44)23-17-13-10-14-18-23/h8-18,24-31,41-42,46H,1,19H2,2-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 160

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL508513

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Orthosiphon stamineus 260636 Lamiaceae asterids Viridiplantae