PCIDB

KNApSAcK Metabolite C00033565

Metabolite

KNApSAcK Entry

id C00033565
Name Acetyloleanolic acid / Oleanolic acid acetate / 3-O-Acetyloleanolic acid / (+)-Acetyloleanolic acid / (+)-Oleanolic acid acetate / (+)-3-O-Acetyloleanolic acid / 3beta-Acetoxyolean-12-en-28-oic acid
CAS RN 4339-72-4
Standard InChI InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1
Standard InChI (Main Layer) InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)

Cluster

Phytochemical cluster
KCF-S cluster No. 177

Link

ChEMBL

By standard InChI CHEMBL486822
By standard InChI Main Layer CHEMBL486822 CHEMBL494653 CHEMBL1315416

KEGG

By LinkDB

CTD

By CAS RN C052658

Species

Summary

Plant class

class name count
asterids 9
rosids 5
eudicotyledons 4

Family (Top 10)

family name count
Lardizabalaceae 4
Ebenaceae 2
Lamiaceae 2
Fabaceae 2
Asteraceae 2
Verbenaceae 1
Stilbaceae 1
Euphorbiaceae 1
Celastraceae 1
Putranjivaceae 1

List (18)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Akebia lagerocemora 13330 Lardizabalaceae eudicotyledons Viridiplantae
Akebia quinata 13331 Lardizabalaceae eudicotyledons Viridiplantae
Akebia trifoliata 155132 Lardizabalaceae eudicotyledons Viridiplantae
Cleidion spiciflorum (Burm. f.) Merr. 212289 Euphorbiaceae rosids Viridiplantae
Dalbergia barretoana 53862 Fabaceae rosids Viridiplantae
Diospyros eriantha 1009467 Ebenaceae asterids Viridiplantae
Diospyros lotus 55363 Ebenaceae asterids Viridiplantae
Drypetes molunduana Pax and Hoffm 20145 Putranjivaceae rosids Viridiplantae
Eysenhardtia platycarpa 252459 Fabaceae rosids Viridiplantae
Helichrysum forskahlii 630302 Asteraceae asterids Viridiplantae
Lippia sidoides 320357 Verbenaceae asterids Viridiplantae
Nuxia sphaerocephala 69069 Stilbaceae asterids Viridiplantae
Rubia cordifolia L. 339321 Rubiaceae asterids Viridiplantae
Salvia amplexicaulis Lam. 268888 Lamiaceae asterids Viridiplantae
Senecio burtonii 18794 Asteraceae asterids Viridiplantae
Sideritis kuegleriana 403023 Lamiaceae asterids Viridiplantae
Stauntonia obovatifoliola Hayata subsp.intermedia 41787 Lardizabalaceae eudicotyledons Viridiplantae
Tripterygium hypoglaucum 205465 Celastraceae rosids Viridiplantae

Human Protein / Gene in interaction

1 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL1315416 CHEMBL1614331 (1)
0 / 0