基本情報
- CAS
481-13-0- 標準SMILES
O=C1C=CC(=O)c2c(O)cccc21- InChIKey
KQPYUDDGWXQXHS-UHFFFAOYSA-N- 分子式
- C10H6O3
- 平均分子量
- 174.15 g/mol
概要
Juglone is a hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group. A plant-derived 1,4-naphthoquinone with confirmed antibacterial and antitumor activities. It has a role as a geroprotector, a herbicide and a reactive oxygen species generator.
名称と識別子
- 優先名称
- Juglone
- IUPAC
- 5-hydroxynaphthalene-1,4-dione
- 英語名
- JUGLONE CRYSTALLIZED
- 分子式
- C10H6O3
- 分子量
- 174.15284
名称と別名
juglone481-39-05-Hydroxy-1,4-naphthoquinone5-Hydroxy-1,4-naphthalenedione5-Hydroxynaphthalene-1,4-dioneRegianinNucin8-Hydroxy-1,4-naphthoquinoneC.I. Natural Brown 7C.I. 75500W6Q80SK9L6DTXSID0031504
名称をさらに表示
5-Hydroxy-1,4-naphthoquinone,crystallized
CHEBI:15794NSC-153189NSC-622948RefChem:792551DTXCID8011504207-567-5JuglonAkhnot
データベース識別子
- CAS
481-13-0- ChEMBL
CHEMBL43612- ChEBI
CHEBI:15794- UNII
- W6Q80SK9L6
- EC Number
- 207-567-5
- Nikkaji
- J5.777K
物性
構造計算による物性
- XLogP
- 1.9
- 極性表面積
- 54.4 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 280
実験および物理化学的性質
SpringerMaterials PropertiesChemical shift
LogP
1.92
1.92
Melting Point155 °C
Physical DescriptionSolid
Collision Cross Section
131.2 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
130.8 Ų [M-H]-
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。
GHS分類
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information1,4-Naphthalenedione, 5-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Substances that are toxic to cells; they may be involved in immunity or may be contained in venoms. These are distinguished from CYTOSTATIC AGENTS in degree of effect. Some of them are used as CYTOTOXIC ANTIBIOTICS. The mechanism of action of many of these are as ALKYLATING AGENTS or MITOSIS MODULATORS.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Substances capable of inhibiting, retarding or arresting the process of fermentation, acidification or other deterioration of foods.
Cellular LocationsCytoplasm
サプライヤー2 社
先进技术工业有限公司[email protected]
Service Chemical Inc.[email protected]
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