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

히메녹손

(3aR,4aS,5R,7R,8aS,9R,10aR)-Decahydro-5,7-dihydroxy-4a,9-dimethyl-3-methylenefuro(2',3':5,6)cyclohepta(1,2-c)pyran-2(3H)-one

HCID 42295
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
57074-51-8
표준 SMILES
C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C[C@H](O)O[C@@H](O)[C@@]3(C)C[C@H]12
InChIKey
PYINVOHSOZSEPB-DKGLCQEFSA-N
분자식
C15H22O5
평균 분자량
282.33 g/mol
단동위원소 질량
282.1467238

개요

Hymenoxon is a member of oxanes.

이름 및 식별자

우선 이름
(3aR,4aS,5R,7R,8aS,9R,10aR)-Decahydro-5,7-dihydroxy-4a,9-dimethyl-3-methylenefuro(2',3':5,6)cyclohepta(1,2-c)pyran-2(3H)-one
IUPAC
(1S,3R,7R,9R,10S,12R,14R)-12,14-dihydroxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-5-one
현지명
히메녹손
영어명
HYMENOXON
분자식
C15H22O5
분자량
282.33

이름 및 동의어

HymenoxonHymenoxoneAYR8B2NT7757377-32-9DTXSID601104051NSC-217313(1S,3R,7R,9R,10S,12R,14R)-12,14-dihydroxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-5-one(1R,3R,4aS,5R,6aR,9aR,10aS)-1,3-dihydroxy-5,10a-dimethyl-9-methylene-3,4,4a,5,6,6a,9a,10-octahydro-1H-furo(3,4)cyclohepta(5,7-d)pyran-8-one(1R,3R,4aS,5R,6aR,9aR,10aS)-1,3-dihydroxy-5,10a-dimethyl-9-methylene-3,4,4a,5,6,6a,9a,10-octahydro-1H-furo[3,4]cyclohepta[5,7-d]pyran-8-one(1S,3R,7R,9R,10S,12R,14R)-12,14-dihydroxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo(8.4.0.03,7)tetradecan-5-oneRefChem:400558DTXCID901535726
이름 더 보기
히메녹손Furo[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one, decahydro-5,7-dihydroxy-4a,9-dimethyl-3-methylene-, (3aR,4aS,5R,7R,8aS,9R,10aR)-(3aR,8aα,10aα)-3a,4,4a,5,7,8,8a,9,10,10a-Decahydro-5α,7β-dihydroxy-4aβ,9α-dimethyl-3-methylenefuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one(3aR,8aS,10aR)-3a,4,4a,5,7,8,8a,9,10,10a-Decahydro-5α,7β-dihydroxy-4aβ,9α-dimethyl-3-methylenefuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one

물성

구조 계산 물성

XLogP
1.7
극성 표면적
76 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
0
무거운 원자 수
20
형식 전하
0
복잡도
448

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Plant Toxins

물리화학적 성질

끓는 점
289 °C · 289°C (estimate)
밀도
1.0984 · 1.0984 (rough estimate)
굴절률
1.62 · 1.6200 (estimate)

안전 및 규제

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

유해성 정보

Hazards Summary · 1건

Emergency treatment: Plants- sesquiterpene lactones; Sesquiterpene lactones are in many plants. They cause toxicity mainly in livestock that eat the plants. Human poisoning cases are extremely rare. Possible symptoms after ingestion include irritation of mucous membranes, dyspnea, pulmonary hemorrhage, tremors, seizures, abdominal pain, and liver injury. [HSDB] Sesquiterpene lactones are a common cause of allergic dermatitis in florists. See Sesquiterpene lactones.

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Natural Pollution Sources · 1건

HYMENOXYS ODORATA (BITTERWEED) IS A MAJOR POISONOUS RANGE PLANT THAT IS INDIGENOUS TO TEXAS, NEW MEXICO, COLORADO, OKLAHOMA, ARIZONA AND CALIFORNIA. HYMENOXON IS EXTRACTED FROM THIS PLANT. HYMENOXON WAS FOUND IN HYMENOXYS ODORATA, HELENIUM HOOPSII AND BAILEYA MULTIRADIATA, AND THE HYMENOXON CONTENT WAS RELATED TO THE RELATIVE TOXICITY (TO ANIMALS) OF THE 3 PLANTS.

Non-Human Toxicity Excerpts · 3건

NO SIGNIFICANT SEX DIFFERENCES WERE OBSERVED IN HYMENOXON ORAL LD50 VALUES FOR SWISS WHITE MICE. HYMENOXON WAS A DIRECT-ACTING MUTAGEN IN THE SALMONELLA/MAMMALIAN MICROSOME TEST. URINE SAMPLES OBTAINED FROM HYMENOXON-TREATED MICE WERE NEGATIVE FOR MUTAGENIC ACTIVITY WHEN TESTED DIRECTLY AND WHEN INCUBATED WITH BETA GLUCURONIDASE.

HYMENOXONE WAS TESTED FOR GENOTOXICITY USING 6 STRAINS OF BACILLUS SUBTILIS. IT PRODUCED LETHAL DNA DAMAGE IN STRAINS RECA8 AND MC-1. EVIDENTLY, HYMENOXONE IS CAPABLE OF INDUCING REPAIRABLE DNA DAMAGE IN BACTERIA.

THE IP LD50 IN RATS WAS 16.24 MG/KG FOR HYMENOXON. THE TOXICITY OF A SESQUITERPENE LACTONE DEPENDS ON THE NUMBER OF ALKYLATING CENTERS SUCH AS CYCLOPENTENONE, ALPHA-METHYLENE-GAMMA-LACTONE, OR HEMIACETAL MOIETIES IN THE MOLECULE.

Antidote and Emergency Treatment · 2건

EXPTL THERAPY: ADMINISTRATION OF 2 ANTIOXIDANTS BUTYLATED HYDROXYANISOLE (BHA), ETHOXYQUIN (EQ) AND DL-METHIONINE WITH THE DIET FOR 7 DAYS PROTECTED MICE FROM ACUTE TOXICITY OF HYMENOXON.

화학 및 산업

약리 정보

Metabolism/MetabolitesTHE SULFHYDRYL GROUP IS NOT THE PRIMARY REACTIVE SITE. HYMENOXON IS EXCRETED AS GLUCURONIDES VIA URINE AND BILE.

용도 및 제조

UsesToxic constituent of Hymenoxys odorata (bitterweed), Helenium hoopsii, and Baileya multiradiata (poisonous range plants); [HSDB]

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
(3aR,4aS,5R,7R,8aS,9R,10aR)-Decahydro-5,7-dihydroxy-4a,9-dimethyl-3-methylenefuro(2',3':5,6)cyclohepta(1,2-c)pyran-2(3H)-oneHYMENOVINHSDB 3495UNII-AYR8B2NT77HYMENOXONE [HSDB]CHEBI:5826HSDB 3494NSC 217313

데이터베이스 식별자

CAS
57074-51-8、57377-32-9
PubChem CID
42295
DTXSID
DTXSID601104051
ChEBI
CHEBI:5826
UNII
AYR8B2NT77
Nikkaji
J15.194G

EXPTL THERAPY: ANTIDOTAL EFFECTS OF ETHOXYQUIN (EQ) (2.5 G/SHEEP/DAY FOR 9 DAYS BEFORE POISONING) WERE SIGNIFICANT IN SHEEP POISONED WITH BITTERWEED, BUT THE PROTECTIVE EFFECTS OF BUTYLATED HYDROXYANISOLE (BHA) WERE INSIGNIFICANT. OF 6 SHEEP GIVEN EQ IN THE FEED, 5 SURVIVED 7 DOSES OF BITTERWEED (4 G/KG/DAY OR HIGHER FOR 7 DAYS), WHEREAS 5 OF 7 CONTROLS AND 4 OF 7 SHEEP GIVEN FEED WITH ADDED BHA DIED. THE ADDED EQ IN THE FEED DECREASED THE SERUM ALKALINE PHOSPHATASE ACTIVITY AND TOTAL PROTEIN, ALBUMIN, AND CALCIUM CONCENTRATIONS. SEEMINGLY, EQ IS THE FIRST PROTECTIVE AGENT WITH FIELD APPLICATION POTENTIAL FOR BITTERWEED TOXICITY.

안전 데이터

유해 물질 데이터
57377-32-9(Hazardous Substances Data)