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Hispidospermidin

CAT: 0931-TN10775-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10775-02Size:50 mg
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CAS Number
154648-89-2
Target
Phospholipase
Related Pathways
Metabolism
Bioactivity
Hispidospermidin is a phospholipase C inhibitor.
Smiles
C[C@H]1[C@@]23[C@@]([C@@]4(C)[C@@H](NCCCCN(CCCN(C)C)C)[C@@](C2)([C@@](C)(CC3)O4)[H])(CC1)[H]
Molecular Formula
C25H47N3O
Molecular Weight
405.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hispidospermidin

Hispidospermidin is a bridged compound with a trimethylspermidine side chain. It is isolated from Chaetosphaeronema hispidulum (Cda) Moesz NR 7127 and has been shown to exhibit inhibitory activity against phosphatidylinositol-specific phospholipase C (PLC). It has a role as a metabolite and an EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor. It is a bridged compound, a cyclic ether and a tertiary amino compound.

CAS Number154648-89-2
PubChem CID11090783
IUPAC NameN'-[3-(dimethylamino)propyl]-N'-methyl-N-[(1S,2R,5S,6S,7S,8R,9R)-2,6,9-trimethyl-13-oxatetracyclo[6.3.1.16,9.01,5]tridecan-7-yl]butane-1,4-diamine
Molecular FormulaC25H47N3O
Molecular Weight405.7
XLogP3.9
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity582
SMILES
C[C@@H]1CC[C@H]2[C@]13CC[C@@]4([C@H](C3)[C@@H]([C@]2(O4)C)NCCCCN(C)CCCN(C)C)C
InChI
InChI=1S/C25H47N3O/c1-19-10-11-21-24(3)22(20-18-25(19,21)13-12-23(20,2)29-24)26-14-7-8-16-28(6)17-9-15-27(4)5/h19-22,26H,7-18H2,1-6H3/t19-,20-,21-,22+,23-,24+,25+/m1/s1
InChIKey
JIRJLWLQLDLWSW-XNDBBLGPSA-N
Chemical Structure
2D Structure
2D structure of Hispidospermidin
CAS: 154648-89-2
CID: 11090783
Formula: C25H47N3O
MW: 405.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.7
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass405.37191313
Monoisotopic Mass405.37191313
Topological Polar Surface Area27.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19255968-01Hispidospermidin

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