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Hodgkinsine

CAT: 0804-HY-N12180ASize: 1 EachDry Ice: NoHazardous: No
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Description
Hodgkinsine is an opioid receptor agonist and NMDA receptor antagonist, which has analgesic and anti-injurial effects. In addition, Hodgkinsine has antiviral, antibacterial and antifungal activities[1][2].
CAS Number
18210-71-4
UNSPSC
12352005
Target
Bacterial; Fungal; Opioid Receptor
Type
Natural Products
Related Pathways
Anti-infection; GPCR/G Protein; Neuronal Signaling
Applications
COVID-19-anti-virus
Field of Research
Infection; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/hodgkinsine.html
Smiles
CN1[C@]2([H])[C@@](CC1)([C@]34C5=CC=CC=C5N[C@@]3([H])N(CC4)C)C6=CC=CC([C@@]78C9=CC=CC=C9N[C@]7([H])N(CC8)C)=C6N2
Molecular Formula
C33H38N6
Molecular Weight
518.70
References & Citations
[1]Saad HE, et al. Biological activities of pyrrolidinoindoline alkaloids from Calycodendron milnei. Planta Med. 1995 Aug;61 (4) :313-6. |[2]Amador TA, et al. Antinociceptive profile of hodgkinsine. Planta Med. 2000 Dec;66 (8) :770-2.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Hodgkinsine

Hodgkinsine is a pyrroloindole.

CAS Number18210-71-4
PubChem CID442105
IUPAC Name(3aR,8bR)-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-8b-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
Molecular FormulaC33H38N6
Molecular Weight518.7
XLogP5.7
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count39
Formal Charge0
Complexity989
SMILES
CN1CC[C@]2([C@@H]1NC3=CC=CC=C32)C4=C5C(=CC=C4)[C@]6(CCN([C@H]6N5)C)[C@@]78CCN([C@@H]7NC9=CC=CC=C89)C
InChI
InChI=1S/C33H38N6/c1-37-18-15-31(21-9-4-6-13-25(21)34-28(31)37)23-11-8-12-24-27(23)36-30-33(24,17-20-39(30)3)32-16-19-38(2)29(32)35-26-14-7-5-10-22(26)32/h4-14,28-30,34-36H,15-20H2,1-3H3/t28-,29+,30-,31-,32-,33+/m1/s1
InChIKey
DPVWJPVYOXKFRQ-BDMNMGLZSA-N
Chemical Structure
2D Structure
2D structure of Hodgkinsine
CAS: 18210-71-4
CID: 442105
Formula: C33H38N6
MW: 518.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.7
XLogP35.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass518.31579524
Monoisotopic Mass518.31579524
Topological Polar Surface Area45.8 Ų
Heavy Atom Count39
Formal Charge0
Complexity989
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5785344Hodgkinsine
LYA95576-01Hodgkinsine B
GTR19257989-01Hodgkinsine trimethyl iodide
H062-5MGHodgkinsine trimethyl triiodide

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