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Chemical structure of (+)-Marmesin

GC30027

(+)-Marmesin

Also listed as S-(+)-Marmesin ((+)-Marmesin)

S-(+)-Marmesin ((+)-Marmesin) is a natural coumarin, exhibiting COX-2/5-LOX dual inhibitory activity

ChemicalCAS13849-08-6MW246.26FormulaC14H14O4
CAS number
13849-08-6
Molecular weight
246.26
Formula
C14H14O4
Solubility
DMSO ： 2 mg/mL (8·12 mM)
InChIKey
FWYSBEAFFPBAQU-LBPRGKRZSA-N
Catalogue number
GC30027
Brand
GLPBIO
Computed properties PubChem CID 334704 · XLogP 1.9 · TPSA 55.8 Ų · H-bond donors 1
XLogP
1.9
TPSA
55.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
18

SMILES CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O

Computed descriptors from PubChem (CID 334704), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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