기본 정보
- CAS
481-13-0- 표준 SMILES
O=C1C=CC(=O)c2c(O)cccc21- InChIKey
KQPYUDDGWXQXHS-UHFFFAOYSA-N- 분자식
- C10H6O3
- 평균 분자량
- 174.15 g/mol
개요
Juglone is a hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group.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.
이름 및 식별자
- 우선 이름
- Juglone
- IUPAC
- 5-hydroxynaphthalene-1,4-dione
- 현지명
- 저글론결정화
- 영어명
- JUGLONE CRYSTALLIZED
- 분자식
- C10H6O3
- 분자량
- 174.15284
이름 및 동의어
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
이름 더 보기
저글론결정화5-Hydroxy-1,4-naphthoquinone,crystallized
CHEBI:15794NSC-153189NSC-622948RefChem:792551DTXCID8011504207-567-5JuglonAkhnot
데이터베이스 식별자
- CAS
481-13-0- ChEMBL
CHEMBL43612- ChEBI
CHEBI:15794- UNII
- W6Q80SK9L6
- EC Number
- 207-567-5
- Nikkaji
- J5.777K
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 54.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 280
실험 및 물리화학적 성질
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]-
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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%)
화학 및 산업
약리 정보
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
공급사2 곳
先进技术工业有限公司[email protected]
Service Chemical Inc.[email protected]
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