PCIDB

KNApSAcK Metabolite C00003698

Metabolite

KNApSAcK Entry

id C00003698
Name Azadirachtin A
CAS RN 11141-17-6
Standard InChI InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1
Standard InChI (Main Layer) InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 487

Link

ChEMBL

By standard InChI CHEMBL509309
By standard InChI Main Layer CHEMBL509309 CHEMBL506084 CHEMBL1557791

KEGG

By LinkDB C11047

CTD

By CAS RN C010329

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
Azadirachta indica 124943 Meliaceae rosids Viridiplantae

Human Protein / Gene in interaction

3 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q96RI1 Bile acid receptor NR1H4 CHEMBL509309 CHEMBL1794415 (1)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1557791 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL509309 CHEMBL2114890 (1)
0 / 0

CTD interaction (27)

compound gene gene name gene description interaction interaction type form reference
pmid
C010329 317 APAF1
APAF-1
CED4
apoptotic peptidase activating factor 1 azadirachtin results in increased expression of APAF1 protein increases expression
protein 20429769
C010329 572 BAD
BBC2
BCL2L8
BCL2-associated agonist of cell death azadirachtin results in increased expression of BAD mRNA increases expression
mRNA 20429769
C010329 581 BAX
BCL2L4
BCL2-associated X protein azadirachtin results in increased expression of BAX mRNA increases expression
mRNA 20429769
C010329 596 BCL2
Bcl-2
PPP1R50
B-cell CLL/lymphoma 2 azadirachtin results in decreased expression of BCL2 mRNA decreases expression
mRNA 20429769
C010329 596 BCL2
Bcl-2
PPP1R50
B-cell CLL/lymphoma 2 azadirachtin results in decreased expression of BCL2 protein decreases expression
protein 20429769
C010329 598 BCL2L1
BCL-XL/S
BCL2L
BCLX
BCLXL
BCLXS
Bcl-X
PPP1R52
bcl-xL
bcl-xS
BCL2-like 1 azadirachtin results in decreased expression of BCL2L1 mRNA decreases expression
mRNA 20429769
C010329 637 BID
FP497
BH3 interacting domain death agonist azadirachtin results in increased expression of BID mRNA increases expression
mRNA 20429769
C010329 332 BIRC5
API4
EPR-1
baculoviral IAP repeat containing 5 azadirachtin results in decreased expression of BIRC5 protein decreases expression
protein 20429769
C010329 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) azadirachtin results in increased expression of CASP3 mRNA increases expression
mRNA 20429769
C010329 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) azadirachtin results in increased expression of CASP3 protein increases expression
protein 20429769
C010329 839 CASP6
MCH2
caspase 6, apoptosis-related cysteine peptidase (EC:3.4.22.59) azadirachtin results in increased expression of CASP6 protein increases expression
protein 20429769
C010329 841 CASP8
ALPS2B
CAP4
Casp-8
FLICE
MACH
MCH5
caspase 8, apoptosis-related cysteine peptidase (EC:3.4.22.61) azadirachtin results in increased expression of CASP8 protein increases expression
protein 20429769
C010329 842 CASP9
APAF-3
APAF3
ICE-LAP6
MCH6
PPP1R56
caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) azadirachtin results in increased expression of CASP9 mRNA increases expression
mRNA 20429769
C010329 842 CASP9
APAF-3
APAF3
ICE-LAP6
MCH6
PPP1R56
caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) azadirachtin results in increased expression of CASP9 protein increases expression
protein 20429769
C010329 595 CCND1
BCL1
D11S287E
PRAD1
U21B31
cyclin D1 azadirachtin results in decreased expression of CCND1 mRNA decreases expression
mRNA 20429769
C010329 1026 CDKN1A
CAP20
CDKN1
CIP1
MDA-6
P21
SDI1
WAF1
p21CIP1
cyclin-dependent kinase inhibitor 1A (p21, Cip1) azadirachtin results in increased expression of CDKN1A mRNA increases expression
mRNA 20429769
C010329 1026 CDKN1A
CAP20
CDKN1
CIP1
MDA-6
P21
SDI1
WAF1
p21CIP1
cyclin-dependent kinase inhibitor 1A (p21, Cip1) azadirachtin results in increased expression of CDKN1A protein increases expression
protein 20429769
C010329 54205 CYCS
CYC
HCS
THC4
cytochrome c, somatic azadirachtin affects the localization of CYCS protein affects localization
protein 20429769
C010329 54205 CYCS
CYC
HCS
THC4
cytochrome c, somatic azadirachtin results in increased expression of CYCS mRNA increases expression
mRNA 20429769
C010329 3551 IKBKB
IKK-beta
IKK2
IKKB
NFKBIKB
inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase beta (EC:2.7.11.10) azadirachtin results in decreased expression of IKBKB protein decreases expression
protein 20429769
C010329 4790 NFKB1
EBP-1
KBF1
NF-kB1
NF-kappa-B
NF-kappaB
NFKB-p105
NFKB-p50
NFkappaB
p105
p50
nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 azadirachtin results in decreased expression of NFKB1 protein decreases expression
protein 20429769
C010329 4792 NFKBIA
IKBA
MAD-3
NFKBI
nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha azadirachtin results in decreased expression of NFKBIA protein modified form decreases expression
protein 20429769
C010329 5111 PCNA
proliferating cell nuclear antigen azadirachtin results in decreased expression of PCNA mRNA decreases expression
mRNA 20429769
C010329 5111 PCNA
proliferating cell nuclear antigen azadirachtin results in decreased expression of PCNA protein decreases expression
protein 20429769
C010329 5970 RELA
NFKB3
p65
v-rel avian reticuloendotheliosis viral oncogene homolog A azadirachtin results in decreased expression of RELA protein decreases expression
protein 20429769
C010329 7157 TP53
BCC7
LFS1
P53
TRP53
tumor protein p53 azadirachtin results in increased expression of TP53 mRNA increases expression
mRNA 20429769
C010329 7157 TP53
BCC7
LFS1
P53
TRP53
tumor protein p53 azadirachtin results in increased expression of TP53 protein increases expression
protein 20429769

Related Disease

Diseases related to proteins in ChEMBL interactions

KEGG DISEASE (1)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)

Diseases related to CTD interactions

3 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D005124 C010329 Eye Abnormalities marker/mechanism
17517339
D017880 C010329 Limb Deformities, Congenital marker/mechanism
17517339
D009369 C010329 Neoplasms therapeutic
20429769