PCIDB

KNApSAcK Metabolite C00000987

Metabolite

KNApSAcK Entry

id C00000987
Name Neohesperidin
CAS RN 13241-33-3
Standard InChI InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10?,17-,19?,21-,22+,23-,24-,25?,26?,27-,28+/m0/s1
Standard InChI (Main Layer) InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3

Cluster

Phytochemical cluster No. 14
KCF-S cluster No. 48

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL506398 CHEMBL1885559

KEGG

By LinkDB C09806

CTD

By CAS RN

Human Protein / Gene in interaction

1 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL1885559 CHEMBL1794536 (1)
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