Metabolite

KNApSAcK Entry

id C00043268
Name Annonacin / (+)-Annonacin
CAS RN 111035-65-5
Standard InChI InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30+,31+,32+,33+,34+/m0/s1
Standard InChI (Main Layer) InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3

Cluster

Phytochemical cluster No. 70
KCF-S cluster No. 6

Link

ChEMBL

By standard InChI CHEMBL67945
By standard InChI Main Layer CHEMBL67945 CHEMBL439797 CHEMBL476498 CHEMBL457276 CHEMBL1992986

KEGG

By LinkDB C20213

CTD

By CAS RN C053442


Related Disease

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D018827 C053442 Carcinoma, Lewis Lung therapeutic
11814843