PCIDB

KNApSAcK Metabolite C00003776

Metabolite

KNApSAcK Entry

id C00003776
Name Lutein / (all-E)-Lutein / all-trans-(+)-Xanthophyll / (3R,3'R,6'R)-beta,epsilon-Carotene-3,3'-diol
CAS RN 127-40-2
Standard InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1
Standard InChI (Main Layer) InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3

Cluster

Phytochemical cluster No. 59
KCF-S cluster No. 26

Link

ChEMBL

By standard InChI CHEMBL173929
By standard InChI Main Layer CHEMBL173929 CHEMBL172477 CHEMBL1559643 CHEMBL1979448

KEGG

By LinkDB C08601

CTD

By CAS RN D014975

Species

Summary

Plant class

class name count
rosids 10
asterids 6
Liliopsida 3
Spermatophyta 1
Euphyllophyta 1

Family (Top 10)

family name count
Asteraceae 4
Siluridae 3
Brassicaceae 3
Bagridae 2
Rhodomelaceae 2
Corbiculidae 2
Rosaceae 2
Rutaceae 1
Taxaceae 1
Asparagaceae 1

List (39)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Amentotaxus yunnanensis 89479 Taxaceae Spermatophyta Viridiplantae
Ananas comosus 4615 Bromeliaceae Liliopsida Viridiplantae
Arabidopsis thaliana 3702 Brassicaceae rosids Viridiplantae
Asparagus officinalis L. 4686 Asparagaceae Liliopsida Viridiplantae
Bangia fuscopurpurea 101920 Bangiaceae Eukaryota
Begonia nantoensis 78253 Begoniaceae rosids Viridiplantae
Bonnemaisonia hamifera 31369 Bonnemaisoniaceae Eukaryota
Brassica spp. 3705 Brassicaceae rosids Viridiplantae
Capsicum annuum L. 4072 Solanaceae asterids Viridiplantae
Ceramium rubrum 35157 Ceramiaceae Eukaryota
Citrus spp. 2706 Rutaceae rosids Viridiplantae
Colchicum luteum Baker. 13444 Colchicaceae Liliopsida Viridiplantae
Corbicula japonica 141464 Corbiculidae Metazoa
Corbicula sandai 141465 Corbiculidae Metazoa
Corydoras melanistius 927907 Callichthyidae Metazoa
Cucumis sativus L. 3659 Cucurbitaceae rosids Viridiplantae
Dendranthema grandiflorum (Ramat.) Kitamura 13422 Asteraceae asterids Viridiplantae
Dorstenia poinsettifolia 106722 Moraceae rosids Viridiplantae
Gigartina stellata
Helianthus annuus L. 4232 Asteraceae asterids Viridiplantae
Helianthus heterophyllus 73292 Asteraceae asterids Viridiplantae
Ictalurus punctatus 7998 Ictaluridae Metazoa
Isatis tinctoria 161756 Brassicaceae rosids Viridiplantae
Malapterurus electricus 337630 Malapteruridae Metazoa
Nemalion helminthoides 35200 Liagoraceae Eukaryota
Pelteobagrus nudiceps 175790 Bagridae Metazoa
Phodymenia palmata
Polysiphonia brodiaei 159751 Rhodomelaceae Eukaryota
Polysiphonia urceolata 65404 Rhodomelaceae Eukaryota
Prunus spp. 3754 Rosaceae rosids Viridiplantae
Pseudobagrus aurantiacus 78878 Bagridae Metazoa
Psidium guajava 120290 Myrtaceae rosids Viridiplantae
Rosa foetida 74629 Rosaceae rosids Viridiplantae
Silurus asotus 30991 Siluridae Metazoa
Silurus biwaensis 94992 Siluridae Metazoa
Silurus microdorsalis 329966 Siluridae Metazoa
Stenochlaena palustris 32079 Blechnaceae Euphyllophyta Viridiplantae
Tagetes erecta 13708 Asteraceae asterids Viridiplantae
Vaccinium macrocarpon 13750 Ericaceae asterids Viridiplantae

Human Protein / Gene in interaction

4 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P11473 Vitamin D3 receptor NR1I1 CHEMBL1559643 CHEMBL1794311 (1)
2 / 3
O75496 Geminin Unclassified protein CHEMBL1559643 CHEMBL2114843 (1) CHEMBL2114780 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL1559643 CHEMBL1794467 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL1559643 CHEMBL1738442 (1)
0 / 0

CTD interaction (8)

compound gene gene name gene description interaction interaction type form reference
pmid
D014975 581 BAX
BCL2L4
BCL2-associated X protein Lutein results in increased expression of BAX protein increases expression
protein 17455471
D014975 596 BCL2
Bcl-2
PPP1R50
B-cell CLL/lymphoma 2 Lutein results in decreased expression of BCL2 protein decreases expression
protein 17455471
D014975 598 BCL2L1
BCL-XL/S
BCL2L
BCLX
BCLXL
BCLXS
Bcl-X
PPP1R52
bcl-xL
bcl-xS
BCL2-like 1 Lutein results in increased expression of BCL2L1 protein increases expression
protein 10750663
D014975 847 CAT
catalase (EC:1.11.1.6) Lutein inhibits the reaction [deoxynivalenol results in increased expression of CAT protein] decreases reaction
/ increases expression
protein 20347963
D014975 595 CCND1
BCL1
D11S287E
PRAD1
U21B31
cyclin D1 Lutein results in decreased expression of CCND1 protein decreases expression
protein 17718427
D014975 5743 PTGS2
COX-2
COX2
GRIPGHS
PGG/HS
PGHS-2
PHS-2
hCox-2
prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase) (EC:1.14.99.1) Lutein inhibits the reaction [deoxynivalenol results in increased expression of PTGS2 protein] decreases reaction
/ increases expression
protein 20347963
D014975 5970 RELA
NFKB3
p65
v-rel avian reticuloendotheliosis viral oncogene homolog A Lutein inhibits the reaction [deoxynivalenol affects the localization of RELA protein] affects localization
/ decreases reaction
protein 20347963
D014975 5970 RELA
NFKB3
p65
v-rel avian reticuloendotheliosis viral oncogene homolog A Lutein inhibits the reaction [deoxynivalenol results in increased expression of RELA protein] decreases reaction
/ increases expression
protein 20347963

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM preferred title UniProt
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (3)

KEGG disease name UniProt
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)

Diseases related to CTD interactions

2 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D007939 D014975 Leukemia L1210 therapeutic
18653355
D014605 D014975 Uveitis therapeutic
22040935