Phallisin

HCID 115286CAS 19774-69-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC1NC(=O)C(CC(O)(CO)CO)NC(=O)C2Cc3c([nH]c4ccccc34)SCC(NC(=O)C(C(C)O)NC1=O)C(=O)N1CC(O)CC1C(=O)NC(C)C(=O)N2
InChIKey
SRDQDZSLNAKOIT-UHFFFAOYSA-N
분자식
C35H48N8O12S
평균 분자량
804.9 g/mol
단동위원소 질량
804.31123998

개요

Phallisin has been reported in Amanita phalloides, Amanita bisporigera, and other organisms with data available.

이름 및 식별자

우선 이름
Phallisin
IUPAC
28-[2,3-dihydroxy-2-(hydroxymethyl)propyl]-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone
영어명
phallisin
분자식
C35H48N8O12S
분자량
804.87

이름 및 동의어

Phallisin19774-69-7DTXSID50104616128-[2,3-dihydroxy-2-(hydroxymethyl)propyl]-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone28-(2,3-dihydroxy-2-(hydroxymethyl)propyl)-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo(12.11.11.03,11.04,9.016,20)hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptoneRefChem:172411DTXCID70152803028-(2,3-dihydroxy-2-(hydroxymethyl)propyl)-18,21,24,26,29,32,35-heptahydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo(12.11.11.03,11.04,9.016,20)hexatriaconta-3(11),4,6,8,21,24,26,29,32,35-decaen-15-oneBRN 3028749PhallicinSCHEMBL2940369918,9-(Iminoethaniminoethaniminoethaniminomethano)-17H-pyrrolo(1',2':5,6)(1,5,8,11)thiatriazacyclopentadecino(15,14-b)indole-4,7,19,22,25,28,31(18H)-heptone,1,2,3,3a,5,6,8,9,10,15-decahydro-29-(2,3-dihydroxy-2-(hydroxymethyl)propyl)-6,26-dimethyl-2-hydroxy-23-(1-hydroxyethyl)-
이름 더 보기
Phalloidin, 7-(4,5,5'-trihydroxy-L-leucine)-
XP181306NS00125401

데이터베이스 식별자

CAS
19774-69-7
PubChem CID
115286
DTXSID
DTXSID501046161

물성

구조 계산 물성

XLogP
-2.7
극성 표면적
337 Ų
수소 결합 공여자 수
12
수소 결합 수용자 수
13
회전 가능 결합 수
5
무거운 원자 수
56

물리화학적 성질

끓는 점
1444.1 · 1444.1±65.0 °C(Predicted)
밀도
1.55 · 1.55±0.1 g/cm3(Predicted)
산도 계수 (pKa)
12.94 · 12.94±0.70(Predicted)

안전 및 규제

독성 정보

TreatmentConsider gastric lavage and activated charcoal. (A678)
Health EffectsLiver lesions, tachycardia, hypoglycemia, hypotension and electrolyte imbalance with acid- base disturbance (L1160).
Exposure RoutesOral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)
Toxicity Summary · 1건

Phallotoxins bind actin, preventing its depolymerization and poisoning the cell. They bind specifically at the interface between F-actin subunits, locking adjacent subunits together. This leads to a decrease in the rate constant for the dissociation of actin subunits from filament ends, which essentially stabilizes actin filaments through the prevention of filament depolymerization. Moreover, they inhibit the ATP hydrolysis activity of F-actin. (L1183, A2465)

Signs and Symptoms · 1건

Hypovolemic shock; Gastrointestinal symptoms occur after a latent period and include abdominal pain, vomiting, and watery diarrhea. Neurologic symptoms are related to hepatic failure and may include encephalopathy, somnolence, confusion, coma and seizures (L1160).

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

화학 및 산업

용도 및 제조

UsesPhalloin is one of a group of toxins from the death cap (Amanita phalloides) known as phallotoxins. (L996)

공급사2 곳

如皋市天成化工有限公司/上海金成化工有限公司[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]

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