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Chemical structure of Cleomiscosin A

GC68882

Cleomiscosin A

Also known as 3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one

Cleomiscosin A is a coumarin lignan produced by Macaranga adenantha· It has activity in inducing TNF-alpha secretion from mouse peritoneal macrophages

ChemicalCAS76948-72-6MW386.35FormulaC20H18O8
CAS number
76948-72-6
Molecular weight
386.35
Formula
C20H18O8
Solubility
DMSO ： 125 mg/mL (323·54 mM; Need ultrasonic)
InChIKey
OCBGWPJNUZMLCA-UHFFFAOYSA-N
Catalogue number
GC68882
Brand
GLPBIO
Computed properties PubChem CID 100151 · XLogP 2.1 · TPSA 104 Ų · H-bond donors 2
XLogP
2.1
TPSA
104 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
28

SMILES COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO)O

Computed descriptors from PubChem (CID 100151), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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