PCIDB

KNApSAcK Metabolite C00001866

Metabolite

KNApSAcK Entry

id C00001866
Name Hernandezine
CAS RN 6681-13-6
Standard InChI InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1
Standard InChI (Main Layer) InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 10

Link

ChEMBL

By standard InChI CHEMBL504936
By standard InChI Main Layer CHEMBL504936

KEGG

By LinkDB C09461

CTD

By CAS RN C067193

Human Protein / Gene in interaction

5 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P11473 Vitamin D3 receptor NR1I1 CHEMBL504936 CHEMBL1794311 (1)
2 / 3
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL504936 CHEMBL1614211 (1)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL504936 CHEMBL1614364 (1)
1 / 1
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL504936 CHEMBL1613933 (1)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL504936 CHEMBL1613933 (1)
1 / 6

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (4)

OMIM preferred title UniProt
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (8)

KEGG disease name UniProt
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q01196 (related)
Q01196 (marker)
H00003 Acute myeloid leukemia (AML) Q01196 (related)
Q01196 (marker)
Q13951 (marker)
H00004 Chronic myeloid leukemia (CML) Q01196 (related)
H00978 Thrombocytopenia (THC) Q01196 (related)
H00063 Spinocerebellar ataxia (SCA) Q9NUW8 (related)