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Cannabisin D

CAT: 0804-HY-N8835Size: 1 EachDry Ice: NoHazardous: No
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Description
Cannabisin D inhibits proliferation and migration of glioblastoma cells through MAPKs signaling[1].
CAS Number
144506-19-4
UNSPSC
12352005
Target
P38 MAPK
Type
Natural Products
Related Pathways
MAPK/ERK Pathway
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/cannabisin-d.html
Solubility
10 mM in DMSO
Smiles
O=C([C@@H](C(C(NCCC(C=C1)=CC=C1O)=O)=C2)[C@@H](C(C=C3)=CC(OC)=C3O)C(C2=C4)=CC(O)=C4OC)NCCC(C=C5)=CC=C5O
Molecular Formula
C36H36N2O8
Molecular Weight
624.68
References & Citations
[1]Dianbao Zhang, et al. Cannabisin D from Sinomenium Acutum Inhibits Proliferation and Migration of Glioblastoma Cells through MAPKs Signaling. Nutr Cancer. 2021;73 (11-12) :2491-2501.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Cannabisin-D

Cannabisin D has been reported in Litsea hypophaea, Hyoscyamus niger, and Cannabis sativa with data available.

CAS Number144506-19-4
PubChem CID71448965
IUPAC Name(1S,2R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6-methoxy-1,2-dihydronaphthalene-2,3-dicarboxamide
Molecular FormulaC36H36N2O8
Molecular Weight624.7
XLogP4.9
Topological Polar Surface Area158
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count46
Formal Charge0
Complexity1020
SMILES
COC1=C(C=CC(=C1)[C@@H]2[C@H](C(=CC3=CC(=C(C=C23)O)OC)C(=O)NCCC4=CC=C(C=C4)O)C(=O)NCCC5=CC=C(C=C5)O)O
InChI
InChI=1S/C36H36N2O8/c1-45-31-18-23(7-12-29(31)41)33-27-20-30(42)32(46-2)19-24(27)17-28(35(43)37-15-13-21-3-8-25(39)9-4-21)34(33)36(44)38-16-14-22-5-10-26(40)11-6-22/h3-12,17-20,33-34,39-42H,13-16H2,1-2H3,(H,37,43)(H,38,44)/t33-,34-/m0/s1
InChIKey
XYTYRVFKBJENPE-HEVIKAOCSA-N
Chemical Structure
2D Structure
2D structure of Cannabisin-D
CAS: 144506-19-4
CID: 71448965
Formula: C36H36N2O8
MW: 624.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight624.7
XLogP34.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass624.24716611
Monoisotopic Mass624.24716611
Topological Polar Surface Area158 Ų
Heavy Atom Count46
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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