홈MCP워크벤치Skills
홈워크벤치알림마이페이지
Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
  1. 홈
  2. /화합물

푸미트레모긴A

Fumitremorgin A

HCID 107713
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
12626-18-5
표준 SMILES
COc1ccc2c3c4n(c2c1)[C@@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3OCC=C(C)C
InChIKey
ACGHJVZDNQZJOV-BMOJZYMJSA-N
분자식
C32H41N3O7
평균 분자량
579.7 g/mol
단동위원소 질량
579.29445066

개요

Fumitremorgin A is an organic heterohexacyclic compound that is a mycotoxic indole alkaloid obtained by prenylation of the 10-hydroxy group of verruculogen. It has a role as a mycotoxin. It is a diol, an organic peroxide, an aromatic ether, an indole alkaloid and an organic heterohexacyclic compound. It is functionally related to a verruculogen.

이름 및 식별자

우선 이름
Fumitremorgin A
IUPAC
(9R,14S,17S,23R,24S)-23-hydroxy-5-methoxy-12,12-dimethyl-24-(3-methylbut-2-enoxy)-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
현지명
푸미트레모긴A
영어명
Fumitremorgin A
분자식
C32H41N3O7
분자량
579.68

이름 및 동의어

Fumitremorgin A12626-18-5ZR1C7949XTCHEBI:72766DTXSID30925479(9R,14S,17S,23R,24S)-23-hydroxy-5-methoxy-12,12-dimethyl-24-(3-methylbut-2-enoxy)-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(5R,10S,10aR,14aS,15bS)-10a-hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methylbut-2-en-1-yl)oxy]-5-(2-methylprop-1-en-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluorene-11,15(H,13H)-dione(5R,10S,10aR,14aS,15bS)-10a-hydroxy-7-methoxy-2,2-dimethyl-10-((3-methylbut-2-en-1-yl)oxy)-5-(2-methylprop-1-en-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta(1,2,3-lm)indeno(5,6-b)fluorene-11,15(H,13H)-dione(9R,14S,17S,23R,24S)-23-hydroxy-5-methoxy-12,12-dimethyl-24-(3-methylbut-2-enoxy)-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-dioneRefChem:921909DTXCID20135430723-hydroxy-5-methoxy-12,12-dimethyl-24-((3-methylbut-2-en-1-yl)oxy)-9-(2-methylprop-1-en-1-yl)-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

물성

구조 계산 물성

XLogP
3.8
극성 표면적
103 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
5
무거운 원자 수
42
형식 전하
0
복잡도
1,150

물리화학적 성질

끓는 점
762.1 · 762.1±60.0 °C(Predicted)
밀도
1.34 · 1.34±0.1 g/cm3(Predicted)
산도 계수 (pKa)
10.53 · 10.53±0.70(Predicted)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

독성 정보

Treatment · 1건

To control severe tremors caused by tremorgenic mycotoxins, methocarbamol should be administered. Generalized seizures may be treated with diazepam followed by methocarbamol or a barbiturate such as pentobarbital sodium. Gastric lavage should be performed and activated charcoal administered to limit further absorption of toxins. (A744)

Health EffectsTremorgenic mycotoxins affect central nervous system activity. They cause a neurological disease of cattle known as "staggers syndrome". (A2976)
Exposure RoutesOral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)
Toxicity Summary · 1건

Tremorgenic mycotoxins exert their toxic effects by interfering with neurotransmitter release, possibly by causing degeneration of nerve terminals. They are thought to inhibit gamma-aminobutyric acid (GABA) receptors, both pre- and postsynaptic, as well as inhibit transmitter breakdown at the GABA-T receptors. This would initially increase neurotransmitter levels, potentiating the GABA-induced chloride current, then lead to decreased levels of neurotransmitter in the synapse. (A2974, A2975, A2976)

Signs and Symptoms · 1건

Tremorgenic mycotoxins affect central nervous system activity, inducing neurologic symptoms including mental confusion, paralysis, tremors, seizures, and death. They cause a neurological disease of cattle known as "staggers syndrome", which is characterized by muscle tremors and hyperexcitability. Fumitremorgin A exposure has also been shown to cause bradycardia, arrhythmia, and hypertension. (A2974, A3025)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

화학 및 산업

용도 및 제조

UsesFumitremorgin A (FTA) is mycotoxin isolated from Aspergillus fumigatus. (A3024)

응용 분야

출처A tremorgenic toxin isolated as a metabolite of AspergillusJurnigatus. It is highly toxic.

공급사6 곳

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
青岛贞开生物医药技术有限公司0532-58268781 18561687109 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
四川恒诚致远生物科技有限公司18113192475 18113192475 · [email protected]
上海禾午生物科技有限公司021-57886085 17317861055 · [email protected]
武汉丽合智造生物科技有限公司18971458902 · [email protected]

추가 설명

정의ChEBI: An organic heterohexacyclic compound that is a mycotoxic indole alkaloid obtained by prenylation of the 10-hydroxy group of verruculogen.

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
이름 더 보기
푸미트레모긴AFUMITREMORGENAA Fumitremorgin AFumitremorgin A / Fumitremorgen A5H,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-10a-hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methyl-2-buten-1-yl)oxy]-5-(2-methyl-1-propen-1-yl)-, (5R,10S,10aR,14aS,15bS)-
UNII-ZR1C7949XTFUMITREMORGEN ASCHEMBL1887086ACon1_001759BRD8008BRD-8008NCGC00180170-01NCGC00180170-02

데이터베이스 식별자

CAS
12626-18-5
PubChem CID
107713
DTXSID
DTXSID30925479
ChEBI
CHEBI:72766
UNII
ZR1C7949XT
Nikkaji
J152.196I