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Chemical structure of Pangelin

GC20067

Pangelin

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

Pangelin is a coumarin that can be found in Ducrosia anethifolia· Pangelin exhibits anti-mycobacterial and anti-tumor activities

ChemicalCAS33783-80-1MW286.28FormulaC16H14O5
CAS number
33783-80-1
Molecular weight
286.28
Formula
C16H14O5
Solubility
DMSO ： 50 mg/mL (174·65 mM; Need ultrasonic)
InChIKey
BVMOMQJYQYBMKL-UHFFFAOYSA-N
Catalogue number
GC20067
Brand
GLPBIO
Computed properties PubChem CID 511358 · XLogP 2.9 · TPSA 68.9 Ų · H-bond donors 1
XLogP
2.9
TPSA
68.9 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21

SMILES CC(=C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O

Computed descriptors from PubChem (CID 511358), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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