PCIDB

KNApSAcK Metabolite C00048946

Metabolite

KNApSAcK Entry

id C00048946
Name 3-Deacetyl khivorin
CAS RN 13947-03-0
Standard InChI InChI=1S/C30H40O9/c1-15(31)36-21-13-20(33)26(3,4)19-12-22(37-16(2)32)29(7)18(28(19,21)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)39-24/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3/t18-,19+,20-,21+,22-,23+,24-,27+,28-,29+,30-/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H40O9/c1-15(31)36-21-13-20(33)26(3,4)19-12-22(37-16(2)32)29(7)18(28(19,21)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)39-24/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 536

Link

ChEMBL

By standard InChI CHEMBL1075818
By standard InChI Main Layer CHEMBL1075818 CHEMBL1447318 CHEMBL2332194

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Meliaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Khaya senegalensis 587579 Meliaceae rosids Viridiplantae

Human Protein / Gene in interaction

5 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL1447318 CHEMBL1614331 (1)
0 / 0
P11473 Vitamin D3 receptor NR1I1 CHEMBL1447318 CHEMBL1794311 (1)
2 / 3
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL1447318 CHEMBL1614521 (1)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1447318 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL1447318 CHEMBL1614421 (1)
4 / 3

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (6)

OMIM preferred title UniProt
#600274 Frontotemporal dementia; ftd P10636
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (7)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)