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다미아나추출물

Osthol

HCID 10228
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
484-12-8
표준 SMILES
COc1ccc2ccc(=O)oc2c1CC=C(C)C
InChIKey
MBRLOUHOWLUMFF-UHFFFAOYSA-N
분자식
C15H16O3
평균 분자량
244.28 g/mol
단동위원소 질량
244.10994437

이름 및 식별자

우선 이름
Osthol
IUPAC
7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
현지명
다미아나추출물
영어명
Osthole
분자식
C15H16O3
분자량
244.29

이름 및 동의어

OstholeOsthol484-12-8OstoleOstol2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one7-Methoxy-8-isopentenylcoumarin8-(3-Methyl-2-butenyl)herniarin7-METHOXY-8-(3-METHYL-2-BUTENYL)-COUMARINXH1TI1759CDTXSID20197507
이름 더 보기
다미아나추출물오스톨Cnidium Monnieri ExtractChuanxiongzineCnidiumTurnera AphrodisiacaOstholum
NSC-318687-METHOXY-8-(3-METHYLBUT-2-ENYL)-2-CHROMENONERefChem:436167-methoxy-8-(3-methylpent-2-enyl)coumarinDTXCID90119998610-421-77-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one7-methoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one

데이터베이스 식별자

CAS
484-12-8
PubChem CID
10228
DTXSID
DTXSID20197507
ChEMBL
CHEMBL52229
ChEBI
CHEBI:69832
UNII
XH1TI1759C
EC Number
610-421-7
Nikkaji
J12.542C

물성

구조 계산 물성

XLogP
3.8
극성 표면적
35.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
18
형식 전하
0
복잡도
366

물리화학적 성질

녹는점
83 · 83-84°C
끓는 점
347.2 °C · 347.2°C (rough estimate)
밀도
1.1263 · 1.1263 (rough estimate)
굴절률
1.557 · 1.5570 (estimate)
저장 조건
2 · Sealed in dry,2-8°C
용해도
10 mg/mL, · 메탄올: 용해성10mg/mL, 투명, 무색
물리적 상태
가루
색상
하얀색
냄새
100 %에서 · 100.00%에서. 건조하고 곰팡내 나는 허브
냄새 유형
건조
수용성
12 mg/L · 12mg/L(25℃)
Merck
14 · 14,6895
화장품 원료 기능
피부 컨디셔닝
InChI
1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
InChIKey
MBRLOUHOWLUMFF-UHFFFAOYSA-N
SMILES
COc1ccc2C=CC(=O)Oc2c1C\C=C(\C)C
LogP
3.686 · 3.686 (est)
NIST
Osthole(484-12-8)

안전 및 규제

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

안전 데이터

wgk
3
rtecs
GN7700000
HS 번호
29322090
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
484-12-8(Hazardous Substances Data)

화학 및 산업

응용 분야 · 3건

개요Cnidium is a Chinese medicine which is used widely by traditional medicine doctors. Cnidium has been recorded in almost all of the pharmaceutical monographs , including Shen Nong’s Classic Materia Medica, New Materia Medica, Compendium of Materia Medica, etc. Osthole is a major bioactivity compound of the Cnidium, which has the effect of dampness dispelling, insecticidal antipruritic,and aphrodisiac and is used for the treatment for pruritus and eczema, lumbago,kidney impotence, and infertility . Osthole is derived from Umbelliferae and Rutaceae plants. Osthole is also distributed in Asteraceae and Leguminosae plants. Osthole is present in 14 genera of Umbelliferae plants: danggui (Angelica L.), gudanggui (Archangelica Hoffm.), mianguoqin (Cachrys L.), shechuang (Cnidium Cusson), awei (Ferula L.), duhuo (Heracleum L.), yanfeng (Libanotis Hill), ouqin (Petroselinum Hill), qianhu (Peucedanum L.), huiqin (Pimpinella L.), liangshechuang (Selinum L.). Shuanchiqin (Prangos Lindl), xifengqin (Seseli L.), oufangfeng (Pastinaca L.). Osthole is present in 17 genera of Rutaceae plants: ganju (Citrus L.), huangpi (Clausena Burm. F.), xiangju (Feronia Correa), jupanmu (Flindersia R. Br.), niyunxiang (Haplophyllum A. Juss.), mizhuyu (Melicope J. R. and G. Forst.), xiaoyunmu (Micromelum Bl.), jiulixiang (Murraya Koenig ex L.), zhi (Poncirus Raf.), yinyu (Skimmia Thunb.), Limonia, Myrtopsis, Pentaceras, Phebalium, Pilocarpus, Thamnosma, Ticorea) .

역사Cnidium is a Chinese medicine which is used widely by traditional medicine doctors. Osthole was isolated in 1950 and then its chemical structure was determined . Osthole can be extracted by solvent method, acid-base method, ultrasound, and supercritical and other methods. The main methods for the separation of osthole are recrystallization, chromatography, and so on. With the development of modern pharmacological experimental methods and techniques, the pharmacological effects of osthole have been discovered and developed. It is found that osthole has many pharmacological activities such as anti-osteoporosis, antiplatelet aggregation, antiviral, anti-mutation, anti-allergic reaction, and so on. In recent years, it has been found that osthole has obvious antitumor activity. In addition, osthole also has strong insecticidal and antifungal effects. In the future, osthole is expected to be developed as a new kind of low-toxicity, high-efficiency, and lowresidue pesticide.

용도Osthole inhibits the PI3K/Akt pathway thus inhibiting insulin-like growth factor-1 (IGF-1)-induced epithelial-to-mesenchymal transition (EMT) in brain cancer. Osthole may be used in the treatment of Glioblastoma multiforme (GBM).

상·하류 제품 정보

상류 원료

Benzaldehyde, 3-bromo-2-hydroxy-4-methoxy-7-hydroxy-8-prop-2-enylchromen-2-one2H-1-Benzopyran-2-one,7-(2-propen-1-yloxy)-8-iodo-7-methoxy-chromen-2-oneStannane, tributyl(1,1-dimethyl-2-propen-1-yl)-2H-1-Benzopyran-2-one, 7-hydroxy-8-iodo-3-클로로-3-메틸-1-부텐(Carboethoxymethyl)triphenylphosphonium chloride hydratemethyl (triphenylphosphoranylidene)acetate트리페닐포스핀7-하이드록시쿠마린4-브로모-2-메틸-2-부텐

하류 제품

8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one

공급사100 곳

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추가 설명

정의ChEBI: A natural product found in Peucedanum ostruthium and Angelica pubescens.

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