PCIDB

KNApSAcK Metabolite C00037537

Metabolite

KNApSAcK Entry

id C00037537
Name N-Acetyl-N-debenzoyltaxol
CAS RN 173101-48-9
Standard InChI InChI=1S/C42H49NO14/c1-21-27(55-38(51)32(48)31(43-22(2)44)25-14-10-8-11-15-25)19-42(52)36(56-37(50)26-16-12-9-13-17-26)34-40(7,28(47)18-29-41(34,20-53-29)57-24(4)46)35(49)33(54-23(3)45)30(21)39(42,5)6/h8-17,27-29,31-34,36,47-48,52H,18-20H2,1-7H3,(H,43,44)/t27?,28-,29+,31-,32+,33+,34?,36-,40+,41-,42+/m0/s1
Standard InChI (Main Layer) InChI=1S/C42H49NO14/c1-21-27(55-38(51)32(48)31(43-22(2)44)25-14-10-8-11-15-25)19-42(52)36(56-37(50)26-16-12-9-13-17-26)34-40(7,28(47)18-29-41(34,20-53-29)57-24(4)46)35(49)33(54-23(3)45)30(21)39(42,5)6/h8-17,27-29,31-34,36,47-48,52H,18-20H2,1-7H3,(H,43,44)

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 canadensis 88032 Taxaceae Spermatophyta Viridiplantae