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Chemical structure of Camellianin A

GC35598

Camellianin A

Also known as [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate

Camellianin A, the main flavonoid in A· nitida leaves, displays anticancer activity and angiotensin converting enzyme (ACE)-inhibitory activity· Camellianin A inhibits the proliferation of the human Hep G2 and MCF-7 cell lines and induces the significant increase of the G0/G1 cell population

ChemicalCAS109232-77-1MW620.56FormulaC29H32O15
CAS number
109232-77-1
Molecular weight
620.56
Formula
C29H32O15
Solubility
Soluble in DMSO
InChIKey
RHJULGLSOARXMO-YXRGHUGASA-N
Catalogue number
GC35598
Brand
GLPBIO
Computed properties PubChem CID 5487343 · XLogP -0.8 · TPSA 231 Ų · H-bond donors 7
XLogP
-0.8
TPSA
231 Ų
H-bond donors
7
H-bond acceptors
15
Rotatable bonds
8
Heavy atoms
44

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC3=CC(=CC4=C3C(=O)C=C(O4)C5=CC=C(C=C5)O)O)COC(=O)C)O)O)O

Computed descriptors from PubChem (CID 5487343), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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