PCIDB

KNApSAcK Metabolite C00024794

Metabolite

KNApSAcK Entry

id C00024794
Name Phomopsin A
CAS RN 64925-80-0
Standard InChI InChI=1S/C36H45ClN6O12/c1-8-17(5)25(32(50)39-20(35(53)54)15-23(44)45)41-30(48)21-11-10-12-43(21)34(52)29-36(6,9-2)55-22-14-18(13-19(37)28(22)47)27(46)26(38-7)33(51)40-24(16(3)4)31(49)42-29/h10-11,13-15,21,24,26-27,29,38,46-47H,3,8-9,12H2,1-2,4-7H3,(H,39,50)(H,40,51)(H,41,48)(H,42,49)(H,44,45)(H,53,54)/b20-15+,25-17+/t21-,24-,26-,27-,29+,36+/m0/s1
Standard InChI (Main Layer) InChI=1S/C36H45ClN6O12/c1-8-17(5)25(32(50)39-20(35(53)54)15-23(44)45)41-30(48)21-11-10-12-43(21)34(52)29-36(6,9-2)55-22-14-18(13-19(37)28(22)47)27(46)26(38-7)33(51)40-24(16(3)4)31(49)42-29/h10-11,13-15,21,24,26-27,29,38,46-47H,3,8-9,12H2,1-2,4-7H3,(H,39,50)(H,40,51)(H,41,48)(H,42,49)(H,44,45)(H,53,54)

Cluster

Phytochemical cluster
KCF-S cluster No. 4599

Link

ChEMBL

By standard InChI CHEMBL446991
By standard InChI Main Layer CHEMBL446991

KEGG

By LinkDB C19955

CTD

By CAS RN C035753

Species

Summary

Plant class

class name count

Family

family name count
Valsaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Phomopsis leptostromiformis 291059 Valsaceae Fungi
Phomopsis sp. ZSU-H76 34399 Valsaceae Fungi

Human Protein / Gene in interaction

1 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P07437 Tubulin beta chain Structural CHEMBL446991 CHEMBL1012659 (1)
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