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Chemical structure of Alloimperatorin

GC35294

Alloimperatorin

Also known as 9-hydroxy-4-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-one

Alloimperatorin (Prangenidin), a coumarin compound, is extracted from Angelica dahurica· Alloimperatorin (Prangenidin) has antitumor activity

ChemicalCAS642-05-7MW270.28FormulaC16H14O4
CAS number
642-05-7
Molecular weight
270.28
Formula
C16H14O4
Solubility
Soluble in DMSO
InChIKey
KDXVVZMYSLWJMA-UHFFFAOYSA-N
Catalogue number
GC35294
Brand
GLPBIO
Computed properties PubChem CID 69502 · XLogP 3.9 · TPSA 59.7 Ų · H-bond donors 1
XLogP
3.9
TPSA
59.7 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20

SMILES CC(=CCC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)O)C

Computed descriptors from PubChem (CID 69502), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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