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Conessine

CAT: 0931-T20712-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T20712-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
546-06-5
Target
FOXO, Parasite, MDM-2/p53, NF-κB, Histamine Receptor, Antibacterial
Related Pathways
NF-κB, Apoptosis, Microbiology/Virology, GPCR/G Protein, Neuroscience, Immunology/Inflammation
Purity
0.9986
Bioactivity
Conessine (Conessinum), a steroidal alkaloid isolated from Holarrhena floribunda, interacts with the histamine H3 receptor and has anti-malarial activity.
Smiles
[H][C@]12CC[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]13CN(C)[C@H]2C)N(C)C
Molecular Formula
C24H40N2
Molecular Weight
356.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Conessine

Conessine is a steroid alkaloid that is con-5-enine substituted by a N,N-dimethylamino group at position 3. It has been isolated from the plant species of the family Apocynaceae. It has a role as an antibacterial agent, an antimalarial, a H3-receptor antagonist and a plant metabolite. It is a steroid alkaloid and a tertiary amino compound. It is functionally related to a conanine.

CAS Number546-06-5
PubChem CID441082
IUPAC Name(1R,2S,5S,6S,9R,12S,13R,16S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
Molecular FormulaC24H40N2
Molecular Weight356.6
XLogP4.9
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity609
SMILES
C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C)C)CN1C
InChI
InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16-,18-,19+,20+,21-,22-,23-,24-/m0/s1
InChIKey
GPLGAQQQNWMVMM-MYAJQUOBSA-N
Chemical Structure
2D Structure
2D structure of Conessine
CAS: 546-06-5
CID: 441082
Formula: C24H40N2
MW: 356.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight356.6
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass356.319149284
Monoisotopic Mass356.319149284
Topological Polar Surface Area6.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes