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Verruculogen

Verruculogen structure

CAS No:
12771-72-1
Formula:
C27H33N3O7
Chemical Name:
Verruculogen
Synonyms:
5H,12H-3,4-Dioxa-5a,11a,15a-triazacyclooct[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione,1,10,10a,14,14a,15b-hexahydro-10,10a-dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methyl-1-propen-1-yl)-,(5R,10S,10aR,14aS,15bS)-;5H,12H-3,4-Dioxa-5a,11a,15a-triazacyclooct[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione,1,10,10a,14,14a,15b-hexahydro-10,10a-dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methyl-1-propenyl)-,[5R-(5α,10α,10aα,14aα,15bα)]-;5H,12H-3,4-Dioxa-5a,11a,15a-triazacyclooct[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione,1,10,10a,14,14a,15b-hexahydro-10,10a-dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methyl-1-propenyl)-,(5R,10S,10aR,14aS,15bS)-;(5R,10S,10aR,14aS,15bS)-1,10,10a,14,14a,15b-Hexahydro-10,10a-dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methyl-1-propen-1-yl)-5H,12H-3,4-dioxa-5a,11a,15a-triazacyclooct[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione;Verruculogen;TR 1;Verruculogen TR 1;TR 1 toxin;NA 209A;51177-08-3
Categories:
Analytical Chemistry > Standard

Description

ChEBI: An organic heterohexacyclic compound that is a mycotoxic indole alkaloid isolated from Penicillium and Aspergillus species.

Verruculogen Basic Attributes

Molecular Weight：

513.58

Exact Mass：

511.57

HScode：

38220090

Characteristics

PSA：

112.01000

XLogP3：

2.60

Density：

1.5±0.1 g/cm3

Melting Point：

233ºC

Boiling Point：

738.4±60.0 °C at 760 mmHg

Flash Point：

2℃

Refractive Index：

1.691

Storage Conditions：

2-8°C

Safety Information

Transport codes：

UN 2811 6.1/PG 2

wgk germany：

hazard class code：

23/24/25-36-20/21/22-11

safety instructions：

36/37/39-45-36/37-26-16

RTECS Number：

JH4920000

Marks：

T,Xn,F

Precautionary statement(s)：

P210-P280-P305 + P351 + P338

Hazard Statements：

H225-H302 + H312 + H332-H319

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

verruculogen

Verruculogen Use and Manufacturing

Verruculogen is a tremorgenic mycotoxin isolated from species of Penicillium, Aspergillus, and other fungi. It selectively inhibits the activation of Maxi-K potassium channels by charybdotoxin with a K1/2 value of 170 nM. Verruculogen also promotes the release of excitatory neurotransmitters when injected directly into the brain of rats and, at high doses, arrests mouse mammary carcinoma cells in M phase of the cell cycle (MIC = 12.2 μM).[Cayman Chemical]

Computed Properties

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
Heavy Atom Count:37
Complexity:999
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes