PCIDB

KNApSAcK Metabolite C00044848

Metabolite

KNApSAcK Entry

id C00044848
Name Klugine / (-)-Klugine
CAS RN 586960-48-7
Standard InChI InChI=1S/C27H36N2O5/c1-4-16-15-29-8-6-17-10-23(30)25(33-2)12-20(17)22(29)9-19(16)14-27(32)21-13-26(34-3)24(31)11-18(21)5-7-28-27/h10-13,16,19,22,28,30-32H,4-9,14-15H2,1-3H3/t16-,19+,22-,27-/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H36N2O5/c1-4-16-15-29-8-6-17-10-23(30)25(33-2)12-20(17)22(29)9-19(16)14-27(32)21-13-26(34-3)24(31)11-18(21)5-7-28-27/h10-13,16,19,22,28,30-32H,4-9,14-15H2,1-3H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 510

Link

ChEMBL

By standard InChI CHEMBL486004
By standard InChI Main Layer CHEMBL486004

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Psychotria klugii 25443 Rubiaceae asterids Viridiplantae

Human Protein / Gene in interaction

3 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P20701 Integrin alpha-L Membrane receptor CHEMBL486004 CHEMBL982328 (1) CHEMBL982330 (1)
0 / 0
Q16665 Hypoxia-inducible factor 1-alpha Transcription Factor CHEMBL486004 CHEMBL999906 (1) CHEMBL999907 (1)
CHEMBL999922 (1) CHEMBL999923 (1)
0 / 0
P27540 Aryl hydrocarbon receptor nuclear translocator Unclassified protein CHEMBL486004 CHEMBL999908 (1) CHEMBL999909 (1)
0 / 0