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Chemical structure of GKK1032B

GC45811

GKK1032B

Also known as (3S,4R,5S,7R,9S,10S,13S,14R,16R,20S,27S)-13-ethenyl-5,7,9,11,13-pentamethyl-2-oxa-18-azahexacyclo[20.2.2.13,10.04,9.016,20.014,27]heptacosa-1(25),11,22(26),23-tetraene-15,17,19-trione

GKK1032B is an alkaloid compound that can be found in endophytic fungus Penicillium sp· GKK1032B can induce the apoptosis of human osteosarcoma MG63 cells through caspase pathway activation

ChemicalCAS358375-11-8MW501.7FormulaC32H39NO4
CAS number
358375-11-8
Molecular weight
501.7
Formula
C32H39NO4
Solubility
Dichloromethane： soluble,DMSO： soluble,Ethanol： soluble
InChIKey
GAPPHVJLWSRLAC-ZABYPXOYSA-N
Catalogue number
GC45811
Brand
GLPBIO
Computed properties PubChem CID 134865937 · XLogP 6.2 · TPSA 72.5 Ų · H-bond donors 1
XLogP
6.2
TPSA
72.5 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
37

SMILES C[C@@H]1C[C@@H]([C@H]2[C@@H]3[C@H]4[C@H]([C@@]2(C1)C)C(=C[C@]([C@@H]4C(=O)[C@H]5[C@H](CC6=CC=C(O3)C=C6)C(=O)NC5=O)(C)C=C)C)C

Computed descriptors from PubChem (CID 134865937), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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