PCIDB

KNApSAcK Metabolite C00041253

Metabolite

KNApSAcK Entry

id C00041253
Name 1-Deoxypaclitaxel
CAS RN 444307-70-4
Standard InChI InChI=1S/C47H53NO11/c1-27-34(57-44(54)39(51)38(30-16-10-7-11-17-30)48-42(52)31-18-12-8-13-19-31)24-33-40(58-43(53)32-20-14-9-15-21-32)41-46(6,23-22-36-47(41,26-55-36)59-29(3)50)25-35(56-28(2)49)37(27)45(33,4)5/h7-21,33-36,38-41,51H,22-26H2,1-6H3,(H,48,52)/t33-,34-,35-,36+,38-,39+,40+,41-,46-,47-/m0/s1
Standard InChI (Main Layer) InChI=1S/C47H53NO11/c1-27-34(57-44(54)39(51)38(30-16-10-7-11-17-30)48-42(52)31-18-12-8-13-19-31)24-33-40(58-43(53)32-20-14-9-15-21-32)41-46(6,23-22-36-47(41,26-55-36)59-29(3)50)25-35(56-28(2)49)37(27)45(33,4)5/h7-21,33-36,38-41,51H,22-26H2,1-6H3,(H,48,52)

Cluster

Phytochemical cluster No. 49
KCF-S cluster No. 238

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
Spermatophyta 1

Family

family name count
Taxaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Taxus mairei 120273 Taxaceae Spermatophyta Viridiplantae