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Dichotomine H

CAT: 0804-HY-N10955Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N10955Size:1 Each
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Description
Dichotomine H is a P-carboline alkaloid that can be extracted from Stellaria dichotoma L. Dichotomine H has good antiallergic activity[1].
CAS Number
1384373-52-7
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/dichotomine-h.html
Solubility
10 mM in DMSO
Smiles
O=C(O)CC[C@@H](C(O)=O)NC(C1=CC2=C(C(C(C)=O)=N1)NC3=C2C=CC=C3)=O
Molecular Formula
C19H17N3O6
Molecular Weight
383.35
References & Citations
[1]Tian J, et al. Carboline alkaloids from Psammosilene tunicoides and their cytotoxic activities. Planta Med. 2012 Apr;78 (6) :625-9.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Dichotomine H
CAS Number1384373-52-7
PubChem CID60149895
IUPAC Name(2S)-2-[(1-acetyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]pentanedioic acid
Molecular FormulaC19H17N3O6
Molecular Weight383.4
XLogP1.4
Topological Polar Surface Area149
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity654
SMILES
CC(=O)C1=C2C(=CC(=N1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C3=CC=CC=C3N2
InChI
InChI=1S/C19H17N3O6/c1-9(23)16-17-11(10-4-2-3-5-12(10)20-17)8-14(21-16)18(26)22-13(19(27)28)6-7-15(24)25/h2-5,8,13,20H,6-7H2,1H3,(H,22,26)(H,24,25)(H,27,28)/t13-/m0/s1
InChIKey
XTDUOMJVJSREHT-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Dichotomine H
CAS: 1384373-52-7
CID: 60149895
Formula: C19H17N3O6
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.4
XLogP31.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass383.11173527
Monoisotopic Mass383.11173527
Topological Polar Surface Area149 Ų
Heavy Atom Count28
Formal Charge0
Complexity654
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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