PCIDB

KNApSAcK Metabolite C00030516

Metabolite

KNApSAcK Entry

id C00030516
Name Isoacteoside / Isoverbascoside
CAS RN 61303-13-7
Standard InChI InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1
Standard InChI (Main Layer) InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3

Cluster

Phytochemical cluster
KCF-S cluster No. 33

Link

ChEMBL

By standard InChI CHEMBL504873
By standard InChI Main Layer CHEMBL504873

KEGG

By LinkDB

CTD

By CAS RN C064683

Species

Summary

Plant class

class name count
asterids 19
rosids 2

Family

family name count
Bignoniaceae 6
Lamiaceae 4
Verbenaceae 3
Acanthaceae 2
Plantaginaceae 2
Celastraceae 1
Fabaceae 1
Scrophulariaceae 1
Oleaceae 1

List (22)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Acanthus ebracteatus 241842 Acanthaceae asterids Viridiplantae
Barleria strigosa 4188 Acanthaceae asterids Viridiplantae
Barnettia kerrii 24079 Bignoniaceae asterids Viridiplantae
Bauhinia tarapotensis 3805 Fabaceae rosids Viridiplantae
Clerodendrum inerme 49994 Lamiaceae asterids Viridiplantae
Dolichandrone serrulata 241843 Bignoniaceae asterids Viridiplantae
Fernandoa adenophylla 260310 Bignoniaceae asterids Viridiplantae
Fraxinus ornus 38874 Oleaceae asterids Viridiplantae
Globularia davisiana 69062 Plantaginaceae asterids Viridiplantae
Globularia trichosantha 285841 Plantaginaceae asterids Viridiplantae
Lamium purpureum L. 53164 Lamiaceae asterids Viridiplantae
Lippia alba 320345 Verbenaceae asterids Viridiplantae
Lippia dulcis TREV. 320344 Verbenaceae asterids Viridiplantae
Markhamia lutea 211921 Bignoniaceae asterids Viridiplantae
Markhamia stipulata 211921 Bignoniaceae asterids Viridiplantae
Maytenus loevis 123430 Celastraceae rosids Viridiplantae
Myoporum bontioides 57115 Scrophulariaceae asterids Viridiplantae
Pithecotenium crucigerum (L.) A.H Gentry
Prostanthera melissifolia 1290920 Lamiaceae asterids Viridiplantae
Stachys lanata 53171 Lamiaceae asterids Viridiplantae
Stereospermum cylindricum 260324 Bignoniaceae asterids Viridiplantae
Verbena littoralis 22002 Verbenaceae asterids Viridiplantae

Human Protein / Gene in interaction

6 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P39900 Macrophage metalloelastase M10A CHEMBL504873 CHEMBL2051216 (1) CHEMBL2051222 (1)
0 / 0
P14780 Matrix metalloproteinase-9 M10A CHEMBL504873 CHEMBL2051215 (1) CHEMBL2051221 (1)
2 / 2
P03956 Interstitial collagenase M10A CHEMBL504873 CHEMBL2051212 (1)
0 / 1
P45452 Collagenase 3 M10A CHEMBL504873 CHEMBL2051217 (1) CHEMBL2051223 (1)
1 / 1
P08253 72 kDa type IV collagenase M10A CHEMBL504873 CHEMBL2051213 (1) CHEMBL2051219 (1)
1 / 3
P08254 Stromelysin-1 M10A CHEMBL504873 CHEMBL2051214 (1) CHEMBL2051220 (1)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (5)

OMIM preferred title UniProt
#614466 Coronary heart disease, susceptibility to, 6; chds6 P08254
#603932 Intervertebral disc disease; idd P14780
#613073 Metaphyseal anadysplasia 2; mandp2 P14780
#259600 Multicentric osteolysis, nodulosis, and arthropathy; mona P08253
#602111 Spondyloepimetaphyseal dysplasia, missouri type P45452

KEGG DISEASE (4)

KEGG disease name UniProt
H00028 Choriocarcinoma P03956 (related)
P08253 (related)
H00025 Penile cancer P08253 (related)
P14780 (related)
H00472 Torg-Winchester syndrome P08253 (related)
H00479 Metaphyseal dysplasias P14780 (related)
P45452 (related)