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Chemical structure of Frangufoline

GC74977

Frangufoline

Also known as 2-(dimethylamino)-N-[(10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylpropanamide

Frangufoline is a 4(14)-type cyclopeptide alkaloid, that can be isolated from the root bark extract of Ziziphus cambodiana Pierre

ChemicalCAS19526-09-1MW534.69FormulaC31H42N4O4
CAS number
19526-09-1
Molecular weight
534.69
Formula
C31H42N4O4
Solubility
H2O： 5 mg/mL (9·35 mM; Need ultrasonic and warming)
InChIKey
TVUQUDJOLFMOKT-MSUUIHNZSA-N
Catalogue number
GC74977
Brand
GLPBIO
Computed properties PubChem CID 5317387 · XLogP 5.2 · TPSA 99.8 Ų · H-bond donors 3
XLogP
5.2
TPSA
99.8 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
39

SMILES CC(C)CC1C(=O)N/C=C\C2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC3=CC=CC=C3)N(C)C)C(C)C

Computed descriptors from PubChem (CID 5317387), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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