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5,7-Dihydroxy-4a,9-dimethyl-3-methylidenedecahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3h)-one

HCID 107943
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
57074-51-8
標準SMILES
C=C1C(=O)OC2CC(C)C3CC(O)OC(O)C3(C)CC12
InChIKey
PYINVOHSOZSEPB-UHFFFAOYSA-N
分子式
C15H22O5
平均分子量
282.33 g/mol
単同位体質量
282.1467238

概要

5,7-Dihydroxy-4a,9-dimethyl-3-methylidenedecahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3h)-one has been reported in Hymenoxys odorata, Hymenoxys richardsonii, and Hymenoxys lemmonii with data available.

名称と識別子

優先名称
5,7-Dihydroxy-4a,9-dimethyl-3-methylidenedecahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3h)-one
IUPAC
12,14-dihydroxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-5-one

名称と別名

DTXSID309725495,7-dihydroxy-4a,9-dimethyl-3-methylidenedecahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3h)-one57074-51-812,14-dihydroxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-5-one12,14-dihydroxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo(8.4.0.03,7)tetradecan-5-one5,7-Dihydroxy-4a,9-dimethyl-3-methylidenedecahydrofuro(2',3':5,6)cyclohepta(1,2-c)pyran-2(3H)-oneRefChem:298852DTXCID801400019SCHEMBL6424628NSC217313NSC256432NSC-256432
名称をさらに表示
Furo[2',6]cyclohepta[1,2-c]pyran-2(3H)-one, decahydro-5,7-dihydroxy-4a,9-dimethyl-3-methylene-

データベース識別子

CAS
57074-51-8
PubChem CID
107943
DTXSID
DTXSID30972549
Nikkaji
J2.084.692E

物性

構造計算による物性

XLogP
1.7
極性表面積
76 Ų
水素結合供与体数
2
水素結合受容体数
5
回転可能結合数
0
重原子数
20
形式電荷
0
複雑度
448

実験および物理化学的性質

Chemical ClassesBiological Agents -> Plant Toxins

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

危険有害性情報

Hazards Summary · 1 件

Oral LD50 (mouse) = 150 mg/kg; [RTECS] Lethal to sheep at doses of 100 mg/kg; Toxic action may be due to alkylating sulfhydryl groups of enzymes in the body; 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.

毒性情報

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

HYMENOVIN, A SESQUITERPENE LACTONE PREVIOUSLY REPORTED AS THE MAJOR TOXIC CONSTITUENT OF HYMENOXYS ODORATA, WAS ISOLATED FROM EXTRACTS OF HYMENOXYS RICHARDSONII AND DUGALDIA HOOPESII AND WAS SHOWN TO ACCOUNT FOR THE TOXICITY OF THESE PLANTS AS WELL. THE FINDING THAT THESE 3 POISONOUS RANGE PLANTS CONTAIN AN IDENTICAL TOXICANT IS CONSISTENT WITH PRIOR OBSERVATIONS OF VERY SIMILAR RESPONSES IN LIVESTOCK POISONED WITH THE WHOLE PLANTS.

Non-Human Toxicity Excerpts · 3 件

HYMENOVIN RETAINED 41% OF ITS MUTAGENIC POTENCY TO SALMONELLA TYPHIMURIUM TA100 AFTER HYDROGENATION OF THE EXO-METHYLENE PORTION OF THE ALPHA-METHYLENE-GAMMA-LACTONE MOIETY, BUT LESS THAN 3% AFTER DIETHYLATION OF THE BISHEMIACETAL MOIETY. APPARENTLY, THE PRINCIPAL REACTIVE SITE RESPONSIBLE FOR THE MUTAGENICITY IS THE BISHEMIACETAL MOIETY AND NOT THE ALPHA-METHYLENE-GAMMA-LACTONE MOIETY.

IN VITRO HYMENOVIN AT 0.6 MG/ML INHIBITED THE GROWTH OF BACILLUS THURINGIENSIS BY 98%. HYMENOVIN HAD A MUTAGENIC EFFECT ON B THURINGIENSIS CULTURES, RESULTING IN THE PRODUCTION OF SEVERAL VARIENT STRAINS. SOME OF THE VARIENT STRAINS LOST THEIR ABILITY TO FORM SPORES AND CRYSTALS. HYMENOVIN ALSO INDUCED B THURINGIENSIS TO PRODUCE SIGNIFICANT LEVELS OF BACTERIOPHAGE. ALL VARIENT STRAINS WERE AS SUSCEPTIBLE TO PHAGE AS THE PARENT STRAIN.

化学と産業

薬理情報

Mechanism of Action · 1 件

HYMENOVIN IS A MIXTURE OF EPIMERIC DIHEMIACETALS AND IS LETHAL TO SHEEP WHEN GIVEN ORALLY AT LEVELS AS LOW AS 100 MG/KG. HYMENOVIN PROBABLY EXERTS ITS TOXIC ACTION, AT LEAST IN PART, BY ALKYLATING SULFHYDRYL GROUPS OF KEY ENZYMES AND OTHER BODY CONSTITUENTS.

用途と製造

Uses · 1 件

Toxic component of the poisonous range plant Hymenoxys odorate; [ChemIDplus] A sesquiterpene lactone; Also found in 2 poisonous range plants: Hymenoxys richardsonii (Pingue) and Dugaldia hoopesii (orang sneezeweed); A major constituent of western bitterweed (Hymenoxys odorata DC); [HSDB]

関連反応

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化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

HYMENOVIN IS A MIXTURE OF EPIMERIC DIHEMIACETALS AND IS LETHAL TO SHEEP WHEN GIVEN ORALLY AT LEVELS AS LOW AS 100 MG/KG. HYMENOVIN PROBABLY EXERTS ITS TOXIC ACTION, AT LEAST IN PART, BY ALKYLATING SULFHYDRYL GROUPS OF KEY ENZYMES AND OTHER BODY CONSTITUENTS.