PCIDB

KNApSAcK Metabolite C00009292

Metabolite

KNApSAcK Entry

id C00009292
Name Pavetannin B 1
CAS RN 139975-01-2
Standard InChI InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38+,39+,40-,41+,44+,45-/m0/s1
Standard InChI (Main Layer) InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2

Cluster

Phytochemical cluster No. 19
KCF-S cluster No. 29

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL540956 CHEMBL81478 CHEMBL445468 CHEMBL1213875 CHEMBL1213876

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1
asterids 1

Family

family name count
Hippocastanaceae 1
Rubiaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aesculus hippocastanum 43364 Hippocastanaceae rosids Viridiplantae
Pavetta owariensis 58461 Rubiaceae asterids Viridiplantae

Human Protein / Gene in interaction

14 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P35354 Prostaglandin G/H synthase 2 Oxidoreductase CHEMBL540956 CHEMBL1213876 CHEMBL1825321 (2) CHEMBL1825322 (2)
CHEMBL1825323 (2)
0 / 3
Q06187 Tyrosine-protein kinase BTK Tec CHEMBL540956 CHEMBL894873 (1) CHEMBL894874 (1)
2 / 2
P12931 Proto-oncogene tyrosine-protein kinase Src Src CHEMBL540956 CHEMBL894848 (1) CHEMBL894849 (1)
0 / 0
Q05513 Protein kinase C zeta type Iota CHEMBL81478 CHEMBL769344 (1)
0 / 0
Q04759 Protein kinase C theta type Delta CHEMBL81478 CHEMBL769344 (1) CHEMBL768504 (1)
0 / 1
Q02156 Protein kinase C epsilon type Eta CHEMBL81478 CHEMBL769344 (1) CHEMBL768504 (1)
0 / 0
O94806 Serine/threonine-protein kinase D3 Pkd CHEMBL81478 CHEMBL769344 (1) CHEMBL768504 (1)
0 / 0
P17252 Protein kinase C alpha type Alpha CHEMBL81478 CHEMBL769344 (1) CHEMBL768504 (1)
0 / 0
Q05655 Protein kinase C delta type Delta CHEMBL81478 CHEMBL769344 (1) CHEMBL768504 (1)
0 / 0
P05129 Protein kinase C gamma type Alpha CHEMBL81478 CHEMBL769344 (1) CHEMBL768504 (1)
1 / 1
P05771 Protein kinase C beta type Alpha CHEMBL81478 CHEMBL769344 (1) CHEMBL768504 (1)
0 / 0
P24723 Protein kinase C eta type Eta CHEMBL81478 CHEMBL769344 (1) CHEMBL768504 (1)
1 / 0
P41743 Protein kinase C iota type Iota CHEMBL81478 CHEMBL769344 (1)
0 / 0
Q15139 Serine/threonine-protein kinase D1 Pkd CHEMBL81478 CHEMBL769344 (1) CHEMBL768504 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (4)

OMIM preferred title UniProt
#300755 Agammaglobulinemia, x-linked; xla Q06187
#307200 Isolated growth hormone deficiency, type iii; ighd3 Q06187
#605361 Spinocerebellar ataxia 14; sca14 P05129
#601367 Stroke, ischemic P24723

KEGG DISEASE (7)

KEGG disease name UniProt
H00063 Spinocerebellar ataxia (SCA) P05129 (related)
H00017 Esophageal cancer P35354 (related)
H00025 Penile cancer P35354 (related)
H00046 Cholangiocarcinoma P35354 (related)
H00408 Type I diabetes mellitus Q04759 (related)
H00085 Agammaglobulinemias Q06187 (related)
H00254 Pituitary Dwarfism (PD) Q06187 (related)