PCIDB

KNApSAcK Metabolite C00025916

Metabolite

KNApSAcK Entry

id C00025916
Name Isovoacangine / (-)-Isovoacangine
CAS RN 596-54-3
Standard InChI InChI=1S/C22H28N2O3/c1-4-14-9-13-11-22(21(25)27-3)19-17(7-8-24(12-13)20(14)22)16-6-5-15(26-2)10-18(16)23-19/h5-6,10,13-14,20,23H,4,7-9,11-12H2,1-3H3/t13-,14+,20+,22-/m1/s1
Standard InChI (Main Layer) InChI=1S/C22H28N2O3/c1-4-14-9-13-11-22(21(25)27-3)19-17(7-8-24(12-13)20(14)22)16-6-5-15(26-2)10-18(16)23-19/h5-6,10,13-14,20,23H,4,7-9,11-12H2,1-3H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 250

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL360427 CHEMBL1713663

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 18

Family

family name count
Apocynaceae 18

List (18)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Conopharyngia durissima 4056 Apocynaceae asterids Viridiplantae
Tabernaemontana amblyocarpa Urb. 52860 Apocynaceae asterids Viridiplantae
Tabernaemontana apoda Wr.ex Sauv. 52860 Apocynaceae asterids Viridiplantae
Tabernaemontana arborea Rose 681494 Apocynaceae asterids Viridiplantae
Tabernaemontana attenuata (Miers) Urb. 52860 Apocynaceae asterids Viridiplantae
Tabernaemontana calcarea 761054 Apocynaceae asterids Viridiplantae
Tabernaemontana coffeoides Boj. 52860 Apocynaceae asterids Viridiplantae
Tabernaemontana crassa Benth. 761062 Apocynaceae asterids Viridiplantae
Tabernaemontana divaricata (L.) R.Br. 52860 Apocynaceae asterids Viridiplantae
Tabernaemontana eglandulosa Stapf 761067 Apocynaceae asterids Viridiplantae
Tabernaemontana elegans Stapf. 52860 Apocynaceae asterids Viridiplantae
Tabernaemontana johnstonii (Stapf) Pichon 52860 Apocynaceae asterids Viridiplantae
Tabernaemontana orientalis R.Br. 715769 Apocynaceae asterids Viridiplantae
Tabernaemontana pachysiphon Stapf. 52860 Apocynaceae asterids Viridiplantae
Tabernaemontana pandacaqui Poir. 52860 Apocynaceae asterids Viridiplantae
Tabernaemontana sessilifolia Bak. 52860 Apocynaceae asterids Viridiplantae
Tabernaemontana siphilitica Leeuwenberg 52860 Apocynaceae asterids Viridiplantae
Tabernaemontana wallichiana Steud. 52860 Apocynaceae asterids Viridiplantae

Human Protein / Gene in interaction

5 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL1713663 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL1713663 CHEMBL2114843 (1) CHEMBL2114780 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL1713663 CHEMBL2114788 (1)
0 / 0
O75164 Lysine-specific demethylase 4A Enzyme CHEMBL1713663 CHEMBL1737991 (1)
0 / 0
Q13148 TAR DNA-binding protein 43 Unclassified protein CHEMBL1713663 CHEMBL2354287 (1)
1 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (3)

OMIM preferred title UniProt
#612069 Amyotrophic lateral sclerosis 10, with or without frontotemporal dementia; als10 Q13148
#114500 Colorectal cancer; crc P84022
#613795 Loeys-dietz syndrome, type 3; lds3 P84022

KEGG DISEASE (1)

KEGG disease name UniProt
H00058 Amyotrophic lateral sclerosis (ALS) Q13148 (related)