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Chemical structure of Manzamine A

GC44126

Manzamine A

Also known as (1R,4R,5Z,12R,13S,16Z)-26-(9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol

Manzamine A is a β-carboline alkaloid with diverse activities that has been found in marine sponges, including X

ChemicalCAS104196-68-1MW548.8FormulaC36H44N4O
CAS number
104196-68-1
Molecular weight
548.8
Formula
C36H44N4O
Solubility
DMSO ： 10 mg/mL (18·22 mM; Need ultrasonic)
InChIKey
XBHNKFWTEBPAPO-QBFMVWOJSA-N
Catalogue number
GC44126
Brand
GLPBIO
Computed properties PubChem CID 6438984 · XLogP 5.7 · TPSA 55.4 Ų · H-bond donors 2
XLogP
5.7
TPSA
55.4 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
41

SMILES C1CCN2CC[C@@H]3C=C([C@@](CC/C=C\C1)([C@H]4C3(C2)C[C@H]/5N4CCCC/C=C5)O)C6=NC=CC7=C6NC8=CC=CC=C78

Computed descriptors from PubChem (CID 6438984), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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