PCIDB

KNApSAcK Metabolite C00003769

Metabolite

KNApSAcK Entry

id C00003769
Name Crocin / alpha-crocin / Crocetin digentiobioside
CAS RN 42553-65-1
Standard InChI InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23?,24?,25?,26?,27-,28-,29-,30-,31+,32+,33+,34+,35?,36?,37?,38?,41-,42-,43+,44+/m1/s1
Standard InChI (Main Layer) InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 4277

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL446785

KEGG

By LinkDB C08589

CTD

By CAS RN C029036

Human Protein / Gene in interaction

3 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL446785 CHEMBL1794467 (1)
0 / 0
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL446785 CHEMBL1794536 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL446785 CHEMBL1738442 (1)
0 / 0

Related Disease

Diseases related to CTD interactions

2 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D050197 C029036 Atherosclerosis therapeutic
15964309
D003072 C029036 Cognition Disorders therapeutic
20683499