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Chemical structure of Kihadanin A

GC76428

Kihadanin A

Also known as (1R,2R,4S,7R,8S,11R,12R,18R)-7-(2-hydroxy-5-oxo-2H-furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione

Kihadanin A (compound 3) is a limonoid NOS3 inhibitor that can be isolated from the methanol extract of Dictamnus dasycarpus root bark

ChemicalCAS125276-62-2MW486.51FormulaC26H30O9
CAS number
125276-62-2
Molecular weight
486.51
Formula
C26H30O9
InChIKey
DZWMSKKYNYZQTC-AJLFSXDCSA-N
Catalogue number
GC76428
Brand
GLPBIO
Computed properties PubChem CID 180311 · XLogP 1.4 · TPSA 129 Ų · H-bond donors 1
XLogP
1.4
TPSA
129 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
1
Heavy atoms
35

SMILES C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)OC([C@@H]4CC(=O)[C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=CC(=O)OC6O)C)(C)C)C

Computed descriptors from PubChem (CID 180311), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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