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Chemical structure of Demethoxyencecalin

GC39371

Demethoxyencecalin

Also known as 1-(2,2-dimethylchromen-6-yl)ethanone

Demethoxyencecalin is a chromene isolated from Helianthus annuus, has antifungal activities

ChemicalCAS19013-07-1MW202.25FormulaC13H14O2
CAS number
19013-07-1
Molecular weight
202.25
Formula
C13H14O2
Solubility
DMSO ： 100 mg/mL (494·44 mM; Need ultrasonic)
InChIKey
ZAJTXVHECZCXLH-UHFFFAOYSA-N
Catalogue number
GC39371
Brand
GLPBIO
Computed properties PubChem CID 177040 · XLogP 3 · TPSA 26.3 Ų · H-bond donors 0
XLogP
3
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15

SMILES CC(=O)C1=CC2=C(C=C1)OC(C=C2)(C)C

Computed descriptors from PubChem (CID 177040), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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