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Chemical structure of Tuberostemonine

GC61360

Tuberostemonine

Also known as (1R,3S,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one

Tuberostemonine, an alkaloid, is an antimalarial agent that targets Plasmodium falciparum ferredoxin-NADP+ reductases (pfFNR)

ChemicalCAS6879-01-2MW375.5FormulaC22H33NO4
CAS number
6879-01-2
Molecular weight
375.5
Formula
C22H33NO4
Solubility
DMSO ： 50 mg/mL (133·16 mM; ultrasonic and warming and heat to 60°C)
InChIKey
GYOGHROCTSEKDY-JJDZUBOLSA-N
Catalogue number
GC61360
Brand
GLPBIO
Computed properties PubChem CID 100781 · XLogP 3.9 · TPSA 55.8 Ų · H-bond donors 0
XLogP
3.9
TPSA
55.8 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
27

SMILES CC[C@@H]1[C@H]2CCCCN3[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](C(=O)O4)C)[C@@H]5[C@H]1OC(=O)[C@H]5C

Computed descriptors from PubChem (CID 100781), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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