PCIDB

KNApSAcK Metabolite C00032066

Metabolite

KNApSAcK Entry

id C00032066
Name Neoorthosiphol A / (-)-Neoorthosiphol A
CAS RN 243448-72-8
Standard InChI InChI=1S/C38H44O12/c1-8-24-27(49-32(42)22-15-11-9-12-16-22)29-36(6)25(19-26(47-20(2)39)38(29,46)34(44)37(24,7)45)35(4,5)30(41)28(48-21(3)40)31(36)50-33(43)23-17-13-10-14-18-23/h8-18,24-31,41,45-46H,1,19H2,2-7H3/t24-,25-,26+,27+,28-,29+,30+,31-,36-,37-,38-/m0/s1
Standard InChI (Main Layer) InChI=1S/C38H44O12/c1-8-24-27(49-32(42)22-15-11-9-12-16-22)29-36(6)25(19-26(47-20(2)39)38(29,46)34(44)37(24,7)45)35(4,5)30(41)28(48-21(3)40)31(36)50-33(43)23-17-13-10-14-18-23/h8-18,24-31,41,45-46H,1,19H2,2-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 160

Link

ChEMBL

By standard InChI CHEMBL525987
By standard InChI Main Layer CHEMBL525987

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
Orthosiphon aristatus 204151 Lamiaceae asterids Viridiplantae
Orthosiphon stamineus 260636 Lamiaceae asterids Viridiplantae