PCIDB

KNApSAcK Metabolite C00019220

Metabolite

KNApSAcK Entry

id C00019220
Name Lupenone
CAS RN 1617-70-5
Standard InChI InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 23

Link

ChEMBL

By standard InChI CHEMBL486393
By standard InChI Main Layer CHEMBL486393 CHEMBL575188

KEGG

By LinkDB C16990

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 18
asterids 5
eudicotyledons 1

Family (Top 10)

family name count
Fabaceae 7
Asteraceae 3
Celastraceae 3
Euphorbiaceae 3
Rutaceae 2
Phyllanthaceae 1
Rhizophoraceae 1
Ebenaceae 1
Rubiaceae 1
Meliaceae 1

List (24)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Acacia mellifera 381101 Fabaceae rosids Viridiplantae
Aglaia forbesii 306504 Meliaceae rosids Viridiplantae
Bruguiera parviflora 106618 Rhizophoraceae rosids Viridiplantae
Celastrus hindsii BENTH 85180 Celastraceae rosids Viridiplantae
Chuquiraga ulicina ssp. ulicina 41547 Asteraceae asterids Viridiplantae
Croton arboreous 100370 Euphorbiaceae rosids Viridiplantae
Derris oblonga 53864 Fabaceae rosids Viridiplantae
Diospyros mollis 268842 Ebenaceae asterids Viridiplantae
Euphorbia segetalis 38847 Euphorbiaceae rosids Viridiplantae
Euphorbia stygiana 154997 Euphorbiaceae rosids Viridiplantae
Glochidion puberum 283122 Phyllanthaceae rosids Viridiplantae
Lasianthus gardneri 58410 Rubiaceae asterids Viridiplantae
Maytenus chiapensis 123430 Celastraceae rosids Viridiplantae
Maytenus cuzcoina 123430 Celastraceae rosids Viridiplantae
Phellodendron amurense 68554 Rutaceae rosids Viridiplantae
Phellodendron japonicum MAXIM 68553 Rutaceae rosids Viridiplantae
Piptadenia macrocarpa 148717 Fabaceae rosids Viridiplantae
Pongamia pinnata 56065 Fabaceae rosids Viridiplantae
Pterocarpus santalinus 1071199 Fabaceae rosids Viridiplantae
Scorzonera cretica 268092 Asteraceae asterids Viridiplantae
Senecio chionophilus 18794 Asteraceae asterids Viridiplantae
Stauntonia obovatifoliola Hayata subsp.intermedia 41787 Lardizabalaceae eudicotyledons Viridiplantae
Tephrosia toxicaria 3803 Fabaceae rosids Viridiplantae
Tephrosia villosa 62125 Fabaceae 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)
Q8TDU6 G-protein coupled bile acid receptor 1 Steroid-like ligand receptor CHEMBL486393 CHEMBL1041788 (1) CHEMBL1041789 (1)
0 / 0
P14679 Tyrosinase Oxidoreductase CHEMBL486393 CHEMBL987571 (1)
4 / 2
Q96RI1 Bile acid receptor NR1H4 CHEMBL486393 CHEMBL1041790 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (4)

OMIM preferred title UniProt
#103470 Albinism, ocular, with sensorineural deafness P14679
#203100 Albinism, oculocutaneous, type ia; oca1a P14679
#606952 Albinism, oculocutaneous, type ib; oca1b P14679
#601800 Skin/hair/eye pigmentation, variation in, 3; shep3 P14679

KEGG DISEASE (2)

KEGG disease name UniProt
H00168 Oculocutaneous albinism (OCA) P14679 (related)
H00038 Malignant melanoma P14679 (marker)