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Chemical structure of (S)-(-)-O-Demethylbuchenavianine

GC74262

(S)-(-)-O-Demethylbuchenavianine

Also known as 5,7-dihydroxy-8-[(2S)-1-methylpiperidin-2-yl]-2-phenylchromen-4-one

(S)-(-)-O-Demetlbuchenavianine (Compound (S)-(-)-1) is a flavonoidal alkaloids

ChemicalCAS91147-18-1MW351.4FormulaC21H21NO4
CAS number
91147-18-1
Molecular weight
351.4
Formula
C21H21NO4
InChIKey
BBZGOLNDVQZCIH-AWEZNQCLSA-N
Catalogue number
GC74262
Brand
GLPBIO
Computed properties PubChem CID 57342532 · XLogP 3.7 · TPSA 70 Ų · H-bond donors 2
XLogP
3.7
TPSA
70 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26

SMILES CN1CCCC[C@H]1C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4)O)O

Computed descriptors from PubChem (CID 57342532), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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