Products for Research Use Only
RegisterLogin

Verrucofortine

CAT: 0804-HY-N10270-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-N10270-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Verrucofortine, a fungal metabolite, is an alkaloid derived from tryptophan and leucine[1].
CAS Number
113706-21-1
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/verrucofortine.html
Solubility
10 mM in DMSO
Smiles
C=CC(C)([C@]12[C@](N(C3=CC=CC=C32)C(C)=O)([H])N4[C@@](C(N[C@H](C4=O)CC(C)C)=O)([H])C1)C
Molecular Formula
C24H31N3O3
Molecular Weight
409.52
References & Citations
[1]Santini A, et al. Penicillium strains isolated from Slovak grape berries taxonomy assessment by secondary metabolite profile. Mycotoxin Res. 2014;30 (4) :213-220.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Microbial Metabolite

Chemical Information

Verrucofortine

Verrucofortine is a pyrroloindole.

CAS Number113706-21-1
PubChem CID119172
IUPAC Name(1R,4S,7S,9R)-16-acetyl-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Molecular FormulaC24H31N3O3
Molecular Weight409.5
XLogP3.8
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity776
SMILES
CC(C)C[C@H]1C(=O)N2[C@@H](C[C@@]3([C@H]2N(C4=CC=CC=C43)C(=O)C)C(C)(C)C=C)C(=O)N1
InChI
InChI=1S/C24H31N3O3/c1-7-23(5,6)24-13-19-20(29)25-17(12-14(2)3)21(30)27(19)22(24)26(15(4)28)18-11-9-8-10-16(18)24/h7-11,14,17,19,22H,1,12-13H2,2-6H3,(H,25,29)/t17-,19-,22-,24+/m0/s1
InChIKey
BMRZKNPRSPWNNW-UNBWHIKDSA-N
Chemical Structure
2D Structure
2D structure of Verrucofortine
CAS: 113706-21-1
CID: 119172
Formula: C24H31N3O3
MW: 409.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass409.23654186
Monoisotopic Mass409.23654186
Topological Polar Surface Area69.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity776
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
468644-01Verrucofortine
V2121-70WVerrucofortine (Fructigenine B, Verrucosine, Verrucozine)

Popular Products