PCIDB

KNApSAcK Metabolite C00044486

Metabolite

KNApSAcK Entry

id C00044486
Name 7'-O-Demethylisocephaeline / (-)-7'-O-Demethylisocephaeline
CAS RN 586399-02-2
Standard InChI InChI=1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-26(32-2)27(33-3)14-21(18)23(29)10-19(16)9-22-20-13-25(31)24(30)11-17(20)5-7-28-22/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3/t16-,19-,22-,23-/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-26(32-2)27(33-3)14-21(18)23(29)10-19(16)9-22-20-13-25(31)24(30)11-17(20)5-7-28-22/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL519546
By standard InChI Main Layer CHEMBL519546

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

2 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q16665 Hypoxia-inducible factor 1-alpha Transcription Factor CHEMBL519546 CHEMBL999906 (1) CHEMBL999907 (1)
CHEMBL999922 (1) CHEMBL999923 (1)
0 / 0
P27540 Aryl hydrocarbon receptor nuclear translocator Unclassified protein CHEMBL519546 CHEMBL999908 (1) CHEMBL999909 (1)
0 / 0