PCIDB

KNApSAcK Metabolite C00042639

Metabolite

KNApSAcK Entry

id C00042639
Name Isorauhimbinic acid / (-)-Isorauhimbinic acid
CAS RN 483-05-6
Standard InChI InChI=1S/C20H24N2O3/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25)/t11-,14+,16-,17+,18+/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H24N2O3/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25)

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 229

Link

ChEMBL

By standard InChI CHEMBL465592
By standard InChI Main Layer CHEMBL14730 CHEMBL148824 CHEMBL382310 CHEMBL465592 CHEMBL1338039 CHEMBL1405795 CHEMBL2104507

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Apocynaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Rauwolfia serpentina 4060 Apocynaceae asterids Viridiplantae

Human Protein / Gene in interaction

12 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL14730 CHEMBL1338039 CHEMBL729206 (1) CHEMBL1614110 (1)
1 / 0
P29466 Caspase-1 C14 CHEMBL1405795 CHEMBL1614158 (1)
0 / 0
P18825 Alpha-2C adrenergic receptor Adrenergic receptor CHEMBL382310 CHEMBL829301 (1)
0 / 0
P11387 DNA topoisomerase 1 Isomerase CHEMBL465592 CHEMBL1003401 (1)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL1338039 CHEMBL1405795 CHEMBL1613910 (1) CHEMBL1614227 (1)
3 / 3
P55210 Caspase-7 C14 CHEMBL1405795 CHEMBL1613779 (1)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1405795 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL1405795 CHEMBL1614421 (1)
4 / 3
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL1405795 CHEMBL1794536 (1)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1405795 CHEMBL1613914 (1)
0 / 0
O00255 Menin Unclassified protein CHEMBL1405795 CHEMBL1614257 (1) CHEMBL1614531 (1)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL1405795 CHEMBL1614257 (1) CHEMBL1614531 (1)
1 / 3

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (11)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#608902 Drug metabolism, poor, cyp2d6-related P10635
#600274 Frontotemporal dementia; ftd P10636
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#145000 Hyperparathyroidism 1; hrpt1 O00255
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636

KEGG DISEASE (14)

KEGG disease name UniProt
H00033 Adrenal carcinoma O00255 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (related)
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)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q03164 (related)
Q03164 (marker)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)
H00480 Non-syndromic X-linked mental retardation Q99714 (related)
H00658 Syndromic X-linked mental retardation Q99714 (related)
H00925 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency Q99714 (related)