PCIDB

KNApSAcK Metabolite C00002926

Metabolite

KNApSAcK Entry

id C00002926
Name Geraniin
CAS RN 60976-49-0
Standard InChI InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18?,23-,30+,32-,33?,39-,41-/m0/s1
Standard InChI (Main Layer) InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2

Cluster

Phytochemical cluster No. 81
KCF-S cluster No. 226

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL506069

KEGG

By LinkDB C10230

CTD

By CAS RN C024603

Human Protein / Gene in interaction

1 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P12821 Angiotensin-converting enzyme M2 CHEMBL506069 CHEMBL1015636 (1)
4 / 2

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (4)

OMIM preferred title UniProt
#614519 Hemorrhage, intracerebral, susceptibility to; ich P12821
#612624 Microvascular complications of diabetes, susceptibility to, 3; mvcd3 P12821
#267430 Renal tubular dysgenesis; rtd P12821
#601367 Stroke, ischemic P12821

KEGG DISEASE (2)

KEGG disease name UniProt
H00083 Allograft rejection P12821 (related)
H00575 Renal tubular dysgenesis P12821 (related)

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D012878 C024603 Skin Neoplasms therapeutic
12628509