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Chemical structure of Hymenistatin I

GA23037

Hymenistatin I

Also known as (1S,7S,10S,13S,19S,22S,25S,28S)-25,28-bis[(2S)-butan-2-yl]-10-[(4-hydroxyphenyl)methyl]-22-(2-methylpropyl)-13-propan-2-yl-3,9,12,15,21,24,27,30-octazatetracyclo[28.3.0.03,7.015,19]tritriacontane-2,8,11,14,20,23,26,29-octone

Hymenistatin I (HS-I) exerts an immunosuppressive effect in the humoral and cellular immune responses comparable with that of cyclosporin A (CsA)· Comparison of the influence of HS-I and CsA on cytokine production suggests that the mechanisms of the interaction with the immunological system are substantially different for the two compounds tested

ChemicalCAS129536-23-8MW893.14FormulaC47H72N8O9
CAS number
129536-23-8
Molecular weight
893.14
Formula
C47H72N8O9
Solubility
Soluble in DMSO
InChIKey
NACGNHONDBBQGE-MXKYYYADSA-N
Catalogue number
GA23037
Brand
GLPBIO
Computed properties PubChem CID 10102206 · XLogP 5 · TPSA 227 Ų · H-bond donors 6
XLogP
5
TPSA
227 Ų
H-bond donors
6
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
64

SMILES CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N1)CC(C)C)C(C)C)CC5=CC=C(C=C5)O)[C@@H](C)CC

Computed descriptors from PubChem (CID 10102206), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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