PCIDB

KNApSAcK Metabolite C00049007

Metabolite

KNApSAcK Entry

id C00049007
Name Nimbolide
CAS RN 25990-37-8
Standard InChI InChI=1S/C27H30O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)27(4)17(11-19(29)31-5)26(3)18(28)6-8-25(2)22(26)21(23(27)33-16)34-24(25)30/h6-9,12,15-17,21-23H,10-11H2,1-5H3
Standard InChI (Main Layer) InChI=1S/C27H30O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)27(4)17(11-19(29)31-5)26(3)18(28)6-8-25(2)22(26)21(23(27)33-16)34-24(25)30/h6-9,12,15-17,21-23H,10-11H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2762

Link

ChEMBL

By standard InChI CHEMBL1968854
By standard InChI Main Layer CHEMBL426690 CHEMBL1968854

KEGG

By LinkDB

CTD

By CAS RN C042198

Species

Summary

Plant class

class name count
rosids 2

Family

family name count
Meliaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Azadirachta excelsa 124942 Meliaceae rosids Viridiplantae
Melia indica 43708 Meliaceae rosids Viridiplantae

Human Protein / Gene in interaction

CTD interaction (27)

compound gene gene name gene description interaction interaction type form reference
pmid
C042198 317 APAF1
APAF-1
CED4
apoptotic peptidase activating factor 1 nimbolide results in increased expression of APAF1 protein increases expression
protein 20429769
C042198 572 BAD
BBC2
BCL2L8
BCL2-associated agonist of cell death nimbolide results in increased expression of BAD mRNA increases expression
mRNA 20429769
C042198 581 BAX
BCL2L4
BCL2-associated X protein nimbolide results in increased expression of BAX mRNA increases expression
mRNA 20429769
C042198 596 BCL2
Bcl-2
PPP1R50
B-cell CLL/lymphoma 2 nimbolide results in decreased expression of BCL2 mRNA decreases expression
mRNA 20429769
C042198 596 BCL2
Bcl-2
PPP1R50
B-cell CLL/lymphoma 2 nimbolide results in decreased expression of BCL2 protein decreases expression
protein 20429769
C042198 598 BCL2L1
BCL-XL/S
BCL2L
BCLX
BCLXL
BCLXS
Bcl-X
PPP1R52
bcl-xL
bcl-xS
BCL2-like 1 nimbolide results in decreased expression of BCL2L1 mRNA decreases expression
mRNA 20429769
C042198 637 BID
FP497
BH3 interacting domain death agonist nimbolide results in increased expression of BID mRNA increases expression
mRNA 20429769
C042198 332 BIRC5
API4
EPR-1
baculoviral IAP repeat containing 5 nimbolide results in decreased expression of BIRC5 protein decreases expression
protein 20429769
C042198 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) nimbolide results in increased expression of CASP3 mRNA increases expression
mRNA 20429769
C042198 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) nimbolide results in increased expression of CASP3 protein increases expression
protein 20429769
C042198 839 CASP6
MCH2
caspase 6, apoptosis-related cysteine peptidase (EC:3.4.22.59) nimbolide results in increased expression of CASP6 protein increases expression
protein 20429769
C042198 841 CASP8
ALPS2B
CAP4
Casp-8
FLICE
MACH
MCH5
caspase 8, apoptosis-related cysteine peptidase (EC:3.4.22.61) nimbolide results in increased expression of CASP8 protein increases expression
protein 20429769
C042198 842 CASP9
APAF-3
APAF3
ICE-LAP6
MCH6
PPP1R56
caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) nimbolide results in increased expression of CASP9 mRNA increases expression
mRNA 20429769
C042198 842 CASP9
APAF-3
APAF3
ICE-LAP6
MCH6
PPP1R56
caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) nimbolide results in increased expression of CASP9 protein increases expression
protein 20429769
C042198 595 CCND1
BCL1
D11S287E
PRAD1
U21B31
cyclin D1 nimbolide results in decreased expression of CCND1 mRNA decreases expression
mRNA 20429769
C042198 1026 CDKN1A
CAP20
CDKN1
CIP1
MDA-6
P21
SDI1
WAF1
p21CIP1
cyclin-dependent kinase inhibitor 1A (p21, Cip1) nimbolide results in increased expression of CDKN1A mRNA increases expression
mRNA 20429769
C042198 1026 CDKN1A
CAP20
CDKN1
CIP1
MDA-6
P21
SDI1
WAF1
p21CIP1
cyclin-dependent kinase inhibitor 1A (p21, Cip1) nimbolide results in increased expression of CDKN1A protein increases expression
protein 20429769
C042198 54205 CYCS
CYC
HCS
THC4
cytochrome c, somatic nimbolide affects the localization of CYCS protein affects localization
protein 20429769
C042198 54205 CYCS
CYC
HCS
THC4
cytochrome c, somatic nimbolide results in increased expression of CYCS mRNA increases expression
mRNA 20429769
C042198 3551 IKBKB
IKK-beta
IKK2
IKKB
NFKBIKB
inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase beta (EC:2.7.11.10) nimbolide results in decreased expression of IKBKB protein decreases expression
protein 20429769
C042198 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 nimbolide results in decreased expression of NFKB1 protein decreases expression
protein 20429769
C042198 4792 NFKBIA
IKBA
MAD-3
NFKBI
nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha nimbolide results in decreased expression of NFKBIA protein modified form decreases expression
protein 20429769
C042198 5111 PCNA
proliferating cell nuclear antigen nimbolide results in decreased expression of PCNA mRNA decreases expression
mRNA 20429769
C042198 5111 PCNA
proliferating cell nuclear antigen nimbolide results in decreased expression of PCNA protein decreases expression
protein 20429769
C042198 5970 RELA
NFKB3
p65
v-rel avian reticuloendotheliosis viral oncogene homolog A nimbolide results in decreased expression of RELA protein decreases expression
protein 20429769
C042198 7157 TP53
BCC7
LFS1
P53
TRP53
tumor protein p53 nimbolide results in increased expression of TP53 mRNA increases expression
mRNA 20429769
C042198 7157 TP53
BCC7
LFS1
P53
TRP53
tumor protein p53 nimbolide results in increased expression of TP53 protein increases expression
protein 20429769

Related Disease

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D009369 C042198 Neoplasms therapeutic
20429769