Verruculogen

CAT: 0931-T13297-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T13297-02Size:5 mg

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CAS Number

12771-72-1

Target

Potassium Channel, Others, Antibacterial, Antibiotic

Related Pathways

Microbiology/Virology, Membrane transporter/Ion channel, Others

Bioactivity

Verruculogen, a toxin primarily produced by Penicillium and Aspergillus spp., inhibits Ca2+-activated K+ channels and acts as an M phase inhibitor of the mammalian cell cycle.

Smiles

[H][C@@]12CCCN1C(=O)[C@]1(O)[C@@H](O)c3c4n([C@H](OOC(C)(C)C[C@]4([H])N1C2=O)C=C(C)C)c1cc(OC)ccc31

Molecular Formula

C27H33N3O7

Molecular Weight

511.57

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Verruculogen

Verruculogen is an organic heterohexacyclic compound that is a mycotoxic indole alkaloid isolated from Penicillium and Aspergillus species. It has a role as a mycotoxin, a GABA modulator, a potassium channel blocker, an Aspergillus metabolite and a Penicillium metabolite. It is a diol, an organic peroxide, an aromatic ether, an indole alkaloid and an organic heterohexacyclic compound.

CAS Number	12771-72-1
PubChem CID	13887805
IUPAC Name	(9R,14S,17S,23R,24S)-23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione
Molecular Formula	C27H33N3O7
Molecular Weight	511.6
XLogP	1.8
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	37
Formal Charge	0
Complexity	998

SMILES

CC(=C[C@@H]1N2C3=C(C=CC(=C3)OC)C4=C2[C@H](CC(OO1)(C)C)N5C(=O)[C@@H]6CCCN6C(=O)[C@@]5([C@H]4O)O)C

InChI

InChI=1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,23-,27+/m0/s1

InChIKey

LRXYHMMJJCTUMY-GWXUGYLUSA-N

Chemical Structure

2D Structure

CAS: 12771-72-1

CID: 13887805

Formula: C27H33N3O7

MW: 511.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	511.6
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	511.23185040
Monoisotopic Mass	511.23185040
Topological Polar Surface Area	114 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	998
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-N6688-01	Verruculogen
MSS1037-01	Pribolab® Verruculogen
BIV1002-01	Verruculogen from Penicillium verruculosum
226788	Verruculogen (NA 209A, TR 1)

Verruculogen

Chemical Information

Alternative Products

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