PCIDB

KNApSAcK Metabolite C00003516

Metabolite

KNApSAcK Entry

id C00003516
Name Echinocystic acid
CAS RN 510-30-5
Standard InChI InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,27-,28+,29+,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 13

Link

ChEMBL

By standard InChI CHEMBL230128
By standard InChI Main Layer CHEMBL230128 CHEMBL464557 CHEMBL1395408 CHEMBL1559201

KEGG

By LinkDB C08942

CTD

By CAS RN C022999

Human Protein / Gene in interaction

5 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P30559 Oxytocin receptor Vasopressin and oxytocin receptor CHEMBL1559201 CHEMBL1614379 (1)
0 / 0
P37288 Vasopressin V1a receptor Vasopressin and oxytocin receptor CHEMBL1559201 CHEMBL1614144 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL1395408 CHEMBL1794467 (1)
0 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL1395408 CHEMBL1613808 (1)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1395408 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1

CTD interaction (8)

compound gene gene name gene description interaction interaction type form reference
pmid
C022999 581 BAX
BCL2L4
BCL2-associated X protein echinocystic acid analog results in decreased expression of BAX protein decreases expression
protein 15863893
C022999 637 BID
FP497
BH3 interacting domain death agonist echinocystic acid analog results in increased cleavage of and affects the localization of BID protein affects localization
/ increases cleavage
protein 15863893
C022999 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) echinocystic acid analog results in increased activity of CASP3 protein increases activity
protein 15863893
C022999 841 CASP8
ALPS2B
CAP4
Casp-8
FLICE
MACH
MCH5
caspase 8, apoptosis-related cysteine peptidase (EC:3.4.22.61) echinocystic acid analog results in increased activity of CASP8 protein increases activity
protein 15863893
C022999 842 CASP9
APAF-3
APAF3
ICE-LAP6
MCH6
PPP1R56
caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) echinocystic acid analog results in increased activity of CASP9 protein increases activity
protein 15863893
C022999 54205 CYCS
CYC
HCS
THC4
cytochrome c, somatic echinocystic acid analog affects the localization of CYCS protein affects localization
protein 15863893
C022999 56616 DIABLO
DFNA64
SMAC
diablo, IAP-binding mitochondrial protein echinocystic acid analog affects the localization of DIABLO protein affects localization
protein 15863893
C022999 331 XIAP
API3
BIRC4
IAP-3
ILP1
MIHA
XLP2
hIAP-3
hIAP3
X-linked inhibitor of apoptosis echinocystic acid analog results in decreased expression of XIAP protein decreases expression
protein 15863893

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

2 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D017202 C022999 Myocardial Ischemia therapeutic
19573579
D009369 C022999 Neoplasms therapeutic
15863893